The development and application of modern technology is an essential basis for the efficient monitoring of species in natural habitats and landscapes to trace the development of ecosystems, species communities, and populations, and to analyze reasons of changes. For estimating animal abundance using methods such as camera trap distance sampling, spatial information of natural habitats in terms of 3D (three-dimensional) measurements is crucial. Additionally, 3D information improves the accuracy of animal detection using camera trapping. This study presents a novel approach to 3D camera trapping featuring highly optimized hardware and software. This approach employs stereo vision to infer 3D information of natural habitats and is designated as StereO CameRA Trap for monitoring of biodivErSity (SOCRATES). A comprehensive evaluation of SOCRATES shows not only a $3.23\%$ improvement in animal detection (bounding box $\text{mAP}_{75}$) but also its superior applicability for estimating animal abundance using camera trap distance sampling. The software and documentation of SOCRATES is provided at https://github.com/timmh/socrates  ( 2 min )

Transformer is a transformative framework that models sequential data and has achieved remarkable performance on a wide range of tasks, but with high computational and energy cost. To improve its efficiency, a popular choice is to compress the models via binarization which constrains the floating-point values into binary ones to save resource consumption owing to cheap bitwise operations significantly. However, existing binarization methods only aim at minimizing the information loss for the input distribution statistically, while ignoring the pairwise similarity modeling at the core of the attention. To this end, we propose a new binarization paradigm customized to high-dimensional softmax attention via kernelized hashing, called EcoFormer, to map the original queries and keys into low-dimensional binary codes in Hamming space. The kernelized hash functions are learned to match the ground-truth similarity relations extracted from the attention map in a self-supervised way. Based on the equivalence between the inner product of binary codes and the Hamming distance as well as the associative property of matrix multiplication, we can approximate the attention in linear complexity by expressing it as a dot-product of binary codes. Moreover, the compact binary representations of queries and keys enable us to replace most of the expensive multiply-accumulate operations in attention with simple accumulations to save considerable on-chip energy footprint on edge devices. Extensive experiments on both vision and language tasks show that EcoFormer consistently achieves comparable performance with standard attentions while consuming much fewer resources. For example, based on PVTv2-B0 and ImageNet-1K, Ecoformer achieves a 73% on-chip energy footprint reduction with only a 0.33% performance drop compared to the standard attention. Code is available at https://github.com/ziplab/EcoFormer.  ( 3 min )

Uncertainty quantification is a key component of machine learning models targeted at safety-critical systems such as in healthcare or autonomous vehicles. We study this problem in the context of meta learning, where the goal is to quickly adapt a predictor to new tasks. In particular, we propose a novel algorithm to construct \emph{PAC prediction sets}, which capture uncertainty via sets of labels, that can be adapted to new tasks with only a few training examples. These prediction sets satisfy an extension of the typical PAC guarantee to the meta learning setting; in particular, the PAC guarantee holds with high probability over future tasks. We demonstrate the efficacy of our approach on four datasets across three application domains: mini-ImageNet and CIFAR10-C in the visual domain, FewRel in the language domain, and the CDC Heart Dataset in the medical domain. In particular, our prediction sets satisfy the PAC guarantee while having smaller size compared to other baselines that also satisfy this guarantee.  ( 2 min )

Pre-trained language models (PLMs) have gained increasing popularity due to their compelling prediction performance in diverse natural language processing (NLP) tasks. When formulating a PLM-based prediction pipeline for NLP tasks, it is also crucial for the pipeline to minimize the calibration error, especially in safety-critical applications. That is, the pipeline should reliably indicate when we can trust its predictions. In particular, there are various considerations behind the pipeline: (1) the choice and (2) the size of PLM, (3) the choice of uncertainty quantifier, (4) the choice of fine-tuning loss, and many more. Although prior work has looked into some of these considerations, they usually draw conclusions based on a limited scope of empirical studies. There still lacks a holistic analysis on how to compose a well-calibrated PLM-based prediction pipeline. To fill this void, we compare a wide range of popular options for each consideration based on three prevalent NLP classification tasks and the setting of domain shift. In response, we recommend the following: (1) use ELECTRA for PLM encoding, (2) use larger PLMs if possible, (3) use Temp Scaling as the uncertainty quantifier, and (4) use Focal Loss for fine-tuning.  ( 3 min )

Neural networks (NNs) are known to be vulnerable against adversarial perturbations, and thus there is a line of work aiming to provide robustness certification for NNs, such as randomized smoothing, which samples smoothing noises from a certain distribution to certify the robustness for a smoothed classifier. However, as shown by previous work, the certified robust radius in randomized smoothing suffers from scaling to large datasets ("curse of dimensionality"). To overcome this hurdle, we propose a Double Sampling Randomized Smoothing (DSRS) framework, which exploits the sampled probability from an additional smoothing distribution to tighten the robustness certification of the previous smoothed classifier. Theoretically, under mild assumptions, we prove that DSRS can certify $\Theta(\sqrt d)$ robust radius under $\ell_2$ norm where $d$ is the input dimension, implying that DSRS may be able to break the curse of dimensionality of randomized smoothing. We instantiate DSRS for a generalized family of Gaussian smoothing and propose an efficient and sound computing method based on customized dual optimization considering sampling error. Extensive experiments on MNIST, CIFAR-10, and ImageNet verify our theory and show that DSRS certifies larger robust radii than existing baselines consistently under different settings. Code is available at https://github.com/llylly/DSRS.

In social science, formal and quantitative models, such as ones describing economic growth and collective action, are used to formulate mechanistic explanations, provide predictions, and uncover questions about observed phenomena. Here, we demonstrate the use of a machine learning system to aid the discovery of symbolic models that capture nonlinear and dynamical relationships in social science datasets. By extending neuro-symbolic methods to find compact functions and differential equations in noisy and longitudinal data, we show that our system can be used to discover interpretable models from real-world data in economics and sociology. Augmenting existing workflows with symbolic regression can help uncover novel relationships and explore counterfactual models during the scientific process. We propose that this AI-assisted framework can bridge parametric and non-parametric models commonly employed in social science research by systematically exploring the space of nonlinear models and enabling fine-grained control over expressivity and interpretability.  ( 2 min )

We developed an inherently interpretable multilevel Bayesian framework for representing variation in regression coefficients that mimics the piecewise linearity of ReLU-activated deep neural networks. We used the framework to formulate a survival model for using medical claims to predict hospital readmission and death that focuses on discharge placement, adjusting for confounding in estimating causal local average treatment effects. We trained the model on a 5\% sample of Medicare beneficiaries from 2008 and 2011, based on their 2009--2011 inpatient episodes, and then tested the model on 2012 episodes. The model scored an AUROC of approximately 0.76 on predicting all-cause readmissions (defined using official CMS methodology) or death within 30-days of discharge, being competitive against XGBoost and a Bayesian deep neural network, demonstrating that one need-not sacrifice interpretability for accuracy. Crucially, we provide what blackboxes cannot -- the exact gold-standard global interpretation of the model, identifying relative risk factors and quantifying the effect of discharge placement. We also show that the posthoc explainer SHAP fails to provide accurate explanations.  ( 3 min )

The modeling of binary microlensing light curves via the standard sampling-based method can be challenging, because of the time-consuming light-curve computation and the pathological likelihood landscape in the high-dimensional parameter space. In this work, we present MAGIC, which is a machine-learning framework to efficiently and accurately infer the microlensing parameters of binary events with realistic data quality. In MAGIC, binary microlensing parameters are divided into two groups and inferred separately with different neural networks. The key feature of MAGIC is the introduction of a neural controlled differential equation, which provides the capability to handle light curves with irregular sampling and large data gaps. Based on simulated light curves, we show that MAGIC can achieve fractional uncertainties of a few percent on the binary mass ratio and separation. We also test MAGIC on a real microlensing event. MAGIC is able to locate degenerate solutions even when large data gaps are introduced. As irregular samplings are common in astronomical surveys, our method also has implications for other studies that involve time series.  ( 3 min )

The scattering transform is a multilayered, wavelet-based transform initially introduced as a model of convolutional neural networks (CNNs) that has played a foundational role in our understanding of these networks' stability and invariance properties. Subsequently, there has been widespread interest in extending the success of CNNs to data sets with non-Euclidean structure, such as graphs and manifolds, leading to the emerging field of geometric deep learning. In order to improve our understanding of the architectures used in this new field, several papers have proposed generalizations of the scattering transform for non-Euclidean data structures such as undirected graphs and compact Riemannian manifolds without boundary. In this paper, we introduce a general, unified model for geometric scattering on measure spaces. Our proposed framework includes previous work on geometric scattering as special cases but also applies to more general settings such as directed graphs, signed graphs, and manifolds with boundary. We propose a new criterion that identifies to which groups a useful representation should be invariant and show that this criterion is sufficient to guarantee that the scattering transform has desirable stability and invariance properties. Additionally, we consider finite measure spaces that are obtained from randomly sampling an unknown manifold. We propose two methods for constructing a data-driven graph on which the associated graph scattering transform approximates the scattering transform on the underlying manifold. Moreover, we use a diffusion-maps based approach to prove quantitative estimates on the rate of convergence of one of these approximations as the number of sample points tends to infinity. Lastly, we showcase the utility of our method on spherical images, directed graphs, and on high-dimensional single-cell data.  ( 3 min )

Web-crawled datasets have enabled remarkable generalization capabilities in recent image-text models such as CLIP (Contrastive Language-Image pre-training) or Flamingo, but little is known about the dataset creation processes. In this work, we introduce a testbed of six publicly available data sources - YFCC, LAION, Conceptual Captions, WIT, RedCaps, Shutterstock - to investigate how pre-training distributions induce robustness in CLIP. We find that the performance of the pre-training data varies substantially across distribution shifts, with no single data source dominating. Moreover, we systematically study the interactions between these data sources and find that combining multiple sources does not necessarily yield better models, but rather dilutes the robustness of the best individual data source. We complement our empirical findings with theoretical insights from a simple setting, where combining the training data also results in diluted robustness. In addition, our theoretical model provides a candidate explanation for the success of the CLIP-based data filtering technique recently employed in the LAION dataset. Overall our results demonstrate that simply gathering a large amount of data from the web is not the most effective way to build a pre-training dataset for robust generalization, necessitating further study into dataset design. Code is available at https://github.com/mlfoundations/clip_quality_not_quantity.  ( 3 min )

Low-order functional ANOVA (fANOVA) models have been rediscovered in the machine learning (ML) community under the guise of inherently interpretable machine learning. Explainable Boosting Machines or EBM (Lou et al. 2013) and GAMI-Net (Yang et al. 2021) are two recently proposed ML algorithms for fitting functional main effects and second-order interactions. We propose a new algorithm, called GAMI-Tree, that is similar to EBM, but has a number of features that lead to better performance. It uses model-based trees as base learners and incorporates a new interaction filtering method that is better at capturing the underlying interactions. In addition, our iterative training method converges to a model with better predictive performance, and the embedded purification ensures that interactions are hierarchically orthogonal to main effects. The algorithm does not need extensive tuning, and our implementation is fast and efficient. We use simulated and real datasets to compare the performance and interpretability of GAMI-Tree with EBM and GAMI-Net.  ( 2 min )

Despite cross-lingual generalization demonstrated by pre-trained multilingual models, the translate-train paradigm of transferring English datasets across multiple languages remains to be the key ingredient for training task-specific multilingual models. However, for many low-resource languages, the availability of a reliable translation service entails significant amounts of costly human-annotated translation pairs. Further, the translation services for low-resource languages may continue to be brittle due to domain mismatch between the task-specific input text and the general-purpose text used while training the translation models. We consider the task of multilingual semantic parsing and demonstrate the effectiveness and flexibility offered by large language models (LLMs) for translating English datasets into several languages via few-shot prompting. We provide (i) Extensive comparisons with prior translate-train methods across 50 languages demonstrating that LLMs can serve as highly effective data translators, outperforming prior translation based methods on 40 out of 50 languages; (ii) A comprehensive study of the key design choices that enable effective data translation via prompted LLMs.  ( 2 min )

Neural architecture search (NAS) has been successfully used to design numerous high-performance neural networks. However, NAS is typically compute-intensive, so most existing approaches restrict the search to decide the operations and topological structure of a single block only, then the same block is stacked repeatedly to form an end-to-end model. Although such an approach reduces the size of search space, recent studies show that a macro search space, which allows blocks in a model to be different, can lead to better performance. To provide a systematic study of the performance of NAS algorithms on a macro search space, we release Blox - a benchmark that consists of 91k unique models trained on the CIFAR-100 dataset. The dataset also includes runtime measurements of all the models on a diverse set of hardware platforms. We perform extensive experiments to compare existing algorithms that are well studied on cell-based search spaces, with the emerging blockwise approaches that aim to make NAS scalable to much larger macro search spaces. The benchmark and code are available at https://github.com/SamsungLabs/blox.  ( 2 min )

Knowledge graph (KG) embedding techniques use structured relationships between entities to learn low-dimensional representations of entities and relations. The traditional KG embedding techniques (such as TransE and DistMult) estimate these embeddings via simple models developed over observed KG triplets. These approaches differ in their triplet scoring loss functions. As these models only use the observed triplets to estimate the embeddings, they are prone to suffer through data sparsity that usually occurs in the real-world knowledge graphs, i.e., the lack of enough triplets per entity. To settle this issue, we propose an efficient method to augment the number of triplets to address the problem of data sparsity. We use random walks to create additional triplets, such that the relations carried by these introduced triplets entail the metapath induced by the random walks. We also provide approaches to accurately and efficiently filter out informative metapaths from the possible set of metapaths, induced by the random walks. The proposed approaches are model-agnostic, and the augmented training dataset can be used with any KG embedding approach out of the box. Experimental results obtained on the benchmark datasets show the advantages of the proposed approach.

This work presents a new class of variational family -- ergodic variational flows -- that not only enables tractable i.i.d. sampling and density evaluation, but also comes with MCMC-like convergence guarantees. Ergodic variational flows consist of a mixture of repeated applications of a measure-preserving and ergodic map to an initial reference distribution. We provide mild conditions under which the variational distribution converges weakly and in total variation to the target as the number of steps in the flow increases; this convergence holds regardless of the value of variational parameters, though different parameter values may result in faster or slower convergence. We develop a practical implementation of the flow family using Hamiltonian dynamics combined with deterministic momentum refreshment, including a tunable step size to optimize the trade-off between simulation fidelity and computational cost. Simulated and real data experiments provide an empirical verification of the convergence theory, and demonstrate that the method provides more reliable posterior approximations than several black-box normalizing flows, as well as samples of comparable quality to those obtained from state-of-the-art MCMC methods.  ( 2 min )

Identifying dynamical systems from experimental data is a notably difficult task. Prior knowledge generally helps, but the extent of this knowledge varies with the application, and customized models are often needed. Neural ordinary differential equations can be written as a flexible framework for system identification and can incorporate a broad spectrum of physical insight, giving physical interpretability to the resulting latent space. In the case of partial observations, however, the data points cannot directly be mapped to the latent state of the ODE. Hence, we propose to design recognition models, in particular inspired by nonlinear observer theory, to link the partial observations to the latent state. We demonstrate the performance of the proposed approach on numerical simulations and on an experimental dataset from a robotic exoskeleton.  ( 2 min )

Multi-server queueing systems are widely used models for job scheduling in machine learning, wireless networks, and crowdsourcing. This paper considers a multi-server system with multiple servers and multiple types of jobs. The system maintains a separate queue for each type of jobs. For each time slot, each available server picks a job from a queue and then serves the job until it is complete. The arrival rates of the queues and the mean service times are unknown and even nonstationary. We propose the MaxWeight with discounted upper confidence bound (UCB) algorithm, which simultaneously learns the statistics and schedules jobs to servers. We prove that the proposed algorithm can stabilize the queues when the arrival rates are strictly within the service capacity region. Specifically, we prove that the queue lengths are bounded in the mean under the assumption that the mean service times change relatively slowly over time and the arrival rates are bounded away from the capacity region by a constant whose value depends on the discount factor used in the discounted UCB. Simulation results confirm that the proposed algorithm can stabilize the queues and that it outperforms MaxWeight with empirical mean and MaxWeight with discounted empirical mean. The proposed algorithm is also better than MaxWeight with UCB in the nonstationary setting.  ( 3 min )

It is challenging to guide neural network (NN) learning with prior knowledge. In contrast, many known properties, such as spatial smoothness or seasonality, are straightforward to model by choosing an appropriate kernel in a Gaussian process (GP). Many deep learning applications could be enhanced by modeling such known properties. For example, convolutional neural networks (CNNs) are frequently used in remote sensing, which is subject to strong seasonal effects. We propose to blend the strengths of deep learning and the clear modeling capabilities of GPs by using a composite kernel that combines a kernel implicitly defined by a neural network with a second kernel function chosen to model known properties (e.g., seasonality). We implement this idea by combining a deep network and an efficient mapping based on the Nystrom approximation, which we call Implicit Composite Kernel (ICK). We then adopt a sample-then-optimize approach to approximate the full GP posterior distribution. We demonstrate that ICK has superior performance and flexibility on both synthetic and real-world data sets. We believe that ICK framework can be used to include prior information into neural networks in many applications.  ( 3 min )

The need for function estimation in label-limited settings is common in the natural sciences. At the same time, prior knowledge of function values is often available in these domains. For example, data-free biophysics-based models can be informative on protein properties, while quantum-based computations can be informative on small molecule properties. How can we coherently leverage such prior knowledge to help improve a neural network model that is quite accurate in some regions of input space -- typically near the training data -- but wildly wrong in other regions? Bayesian neural networks (BNN) enable the user to specify prior information only on the neural network weights, not directly on the function values. Moreover, there is in general no clear mapping between these. Herein, we tackle this problem by developing an approach to augment BNNs with prior information on the function values themselves. Our probabilistic approach yields predictions that rely more heavily on the prior information when the epistemic uncertainty is large, and more heavily on the neural network when the epistemic uncertainty is small.  ( 2 min )

Modeling the energy and forces of atomic systems is a fundamental problem in computational chemistry with the potential to help address many of the world's most pressing problems, including those related to energy scarcity and climate change. These calculations are traditionally performed using Density Functional Theory, which is computationally very expensive. Machine learning has the potential to dramatically improve the efficiency of these calculations from days or hours to seconds. We propose the Spherical Channel Network (SCN) to model atomic energies and forces. The SCN is a graph neural network where nodes represent atoms and edges their neighboring atoms. The atom embeddings are a set of spherical functions, called spherical channels, represented using spherical harmonics. We demonstrate, that by rotating the embeddings based on the 3D edge orientation, more information may be utilized while maintaining the rotational equivariance of the messages. While equivariance is a desirable property, we find that by relaxing this constraint in both message passing and aggregation, improved accuracy may be achieved. We demonstrate state-of-the-art results on the large-scale Open Catalyst dataset in both energy and force prediction for numerous tasks and metrics.  ( 3 min )

Traditional models of active learning assume a learner can directly manipulate or query a covariate $X$ in order to study its relationship with a response $Y$. However, if $X$ is a feature of a complex system, it may be possible only to indirectly influence $X$ by manipulating a control variable $Z$, a scenario we refer to as Indirect Active Learning. Under a nonparametric model of Indirect Active Learning with a fixed budget, we study minimax convergence rates for estimating the relationship between $X$ and $Y$ locally at a point, obtaining different rates depending on the complexities and noise levels of the relationships between $Z$ and $X$ and between $X$ and $Y$. We also identify minimax rates for passive learning under comparable assumptions. In many cases, our results show that, while there is an asymptotic benefit to active learning, this benefit is fully realized by a simple two-stage learner that runs two passive experiments in sequence.  ( 2 min )

Event cameras respond to brightness changes in the scene asynchronously and independently for every pixel. Due to the properties, these cameras have distinct features: high dynamic range (HDR), high temporal resolution, and low power consumption. However, the results of event cameras should be processed into an alternative representation for computer vision tasks. Also, they are usually noisy and cause poor performance in areas with few events. In recent years, numerous researchers have attempted to reconstruct videos from events. However, they do not provide good quality videos due to a lack of temporal information from irregular and discontinuous data. To overcome these difficulties, we introduce an E2V-SDE whose dynamics are governed in a latent space by Stochastic differential equations (SDE). Therefore, E2V-SDE can rapidly reconstruct images at arbitrary time steps and make realistic predictions on unseen data. In addition, we successfully adopted a variety of image composition techniques for improving image clarity and temporal consistency. By conducting extensive experiments on simulated and real-scene datasets, we verify that our model outperforms state-of-the-art approaches under various video reconstruction settings. In terms of image quality, the LPIPS score improves by up to 12% and the reconstruction speed is 87% higher than that of ET-Net.  ( 3 min )

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works. By applying change-of-variable, the solution can be equivalently simplified to an exponentially weighted integral of the neural network. Based on our formulation, we propose DPM-Solver, a fast dedicated high-order solver for diffusion ODEs with the convergence order guarantee. DPM-Solver is suitable for both discrete-time and continuous-time DPMs without any further training. Experimental results show that DPM-Solver can generate high-quality samples in only 10 to 20 function evaluations on various datasets. We achieve 4.70 FID in 10 function evaluations and 2.87 FID in 20 function evaluations on the CIFAR10 dataset, and a $4\sim 16\times$ speedup compared with previous state-of-the-art training-free samplers on various datasets.  ( 3 min )

In this work, we assess the ability of physics-informed neural networks (PINNs) to solve increasingly-complex coupled ordinary differential equations (ODEs). We focus on a pair of benchmarks: discretized partial differential equations and harmonic oscillators, each of which has a tunable parameter that controls its complexity. Even by varying network architecture and applying a state-of-the-art training method that accounts for "difficult" training regions, we show that PINNs eventually fail to produce correct solutions to these benchmarks as their complexity -- the number of equations and the size of time domain -- increases. We identify several reasons why this may be the case, including insufficient network capacity, poor conditioning of the ODEs, and high local curvature, as measured by the Laplacian of the PINN loss.

We aim to understand grokking, a phenomenon where models generalize long after overfitting their training set. We present both a microscopic analysis anchored by an effective theory and a macroscopic analysis of phase diagrams describing learning performance across hyperparameters. We find that generalization originates from structured representations whose training dynamics and dependence on training set size can be predicted by our effective theory in a toy setting. We observe empirically the presence of four learning phases: comprehension, grokking, memorization, and confusion. We find representation learning to occur only in a "Goldilocks zone" (including comprehension and grokking) between memorization and confusion. We find on transformers the grokking phase stays closer to the memorization phase (compared to the comprehension phase), leading to delayed generalization. The Goldilocks phase is reminiscent of "intelligence from starvation" in Darwinian evolution, where resource limitations drive discovery of more efficient solutions. This study not only provides intuitive explanations of the origin of grokking, but also highlights the usefulness of physics-inspired tools, e.g., effective theories and phase diagrams, for understanding deep learning.

Sparsely-activated Mixture-of-experts (MoE) models allow the number of parameters to greatly increase while keeping the amount of computation for a given token or a given sample unchanged. However, a poor expert routing strategy (e.g. one resulting in load imbalance) can cause certain experts to be under-trained, leading to an expert being under or over-specialized. Prior work allocates a fixed number of experts to each token using a top-k function regardless of the relative importance of different tokens. To address this, we propose a heterogeneous mixture-of-experts employing an expert choice method. Instead of letting tokens select the top-k experts, we have experts selecting the top-k tokens. As a result, each token can be routed to a variable number of experts and each expert can have a fixed bucket size. We systematically study pre-training speedups using the same computational resources of the Switch Transformer top-1 and GShard top-2 gating of prior work and find that our method improves training convergence time by more than 2x. For the same computational cost, our method demonstrates higher performance in fine-tuning 11 selected tasks in the GLUE and SuperGLUE benchmarks. For a smaller activation cost, our method outperforms the T5 dense model in 7 out of the 11 tasks.

For each partition of a data set into a given number of parts there is a partition such that every part is as much as possible a good model (an "algorithmic sufficient statistic") for the data in that part. Since this can be done for every number between one and the number of data, the result is a function, the cluster structure function. It maps the number of parts of a partition to values related to the deficiencies of being good models by the parts. Such a function starts with a value at least zero for no partition of the data set and descents to zero for the partition of the data set into singleton parts. The optimal clustering is the one chosen to minimize the cluster structure function. The theory behind the method is expressed in algorithmic information theory (Kolmogorov complexity). In practice the Kolmogorov complexities involved are approximated by a concrete compressor. We give examples using real data sets: the MNIST handwritten digits and the segmentation of real cells as used in stem cell research.

The increasing use of Machine Learning (ML) components embedded in autonomous systems -- so-called Learning-Enabled Systems (LESs) -- has resulted in the pressing need to assure their functional safety. As for traditional functional safety, the emerging consensus within both, industry and academia, is to use assurance cases for this purpose. Typically assurance cases support claims of reliability in support of safety, and can be viewed as a structured way of organising arguments and evidence generated from safety analysis and reliability modelling activities. While such assurance activities are traditionally guided by consensus-based standards developed from vast engineering experience, LESs pose new challenges in safety-critical application due to the characteristics and design of ML models. In this article, we first present an overall assurance framework for LESs with an emphasis on quantitative aspects, e.g., breaking down system-level safety targets to component-level requirements and supporting claims stated in reliability metrics. We then introduce a novel model-agnostic Reliability Assessment Model (RAM) for ML classifiers that utilises the operational profile and robustness verification evidence. We discuss the model assumptions and the inherent challenges of assessing ML reliability uncovered by our RAM and propose solutions to practical use. Probabilistic safety argument templates at the lower ML component-level are also developed based on the RAM. Finally, to evaluate and demonstrate our methods, we not only conduct experiments on synthetic/benchmark datasets but also scope our methods with case studies on simulated Autonomous Underwater Vehicles and physical Unmanned Ground Vehicles.

The No Unmeasured Confounding Assumption is widely used to identify causal effects in observational studies. Recent work on proximal inference has provided alternative identification results that succeed even in the presence of unobserved confounders, provided that one has measured a sufficiently rich set of proxy variables, satisfying specific structural conditions. However, proximal inference requires solving an ill-posed integral equation. Previous approaches have used a variety of machine learning techniques to estimate a solution to this integral equation, commonly referred to as the bridge function. However, prior work has often been limited by relying on pre-specified kernel functions, which are not data adaptive and struggle to scale to large datasets. In this work, we introduce a flexible and scalable method based on a deep neural network to estimate causal effects in the presence of unmeasured confounding using proximal inference. Our method achieves state of the art performance on two well-established proximal inference benchmarks. Finally, we provide theoretical consistency guarantees for our method.

The prevalence of data scraping from social media as a means to obtain datasets has led to growing concerns regarding unauthorized use of data. Data poisoning attacks have been proposed as a bulwark against scraping, as they make data "unlearnable" by adding small, imperceptible perturbations. Unfortunately, existing methods require knowledge of both the target architecture and the complete dataset so that a surrogate network can be trained, the parameters of which are used to generate the attack. In this work, we introduce autoregressive (AR) poisoning, a method that can generate poisoned data without access to the broader dataset. The proposed AR perturbations are generic, can be applied across different datasets, and can poison different architectures. Compared to existing unlearnable methods, our AR poisons are more resistant against common defenses such as adversarial training and strong data augmentations. Our analysis further provides insight into what makes an effective data poison.

Recommender systems have become an essential tool for providers and users of online services and goods, especially with the increased use of the Internet to access information and purchase products and services. This work proposes a novel recommendation method based on complex networks generated by a similarity-popularity model to predict ones. We first construct a model of a network having users and items as nodes from observed ratings and then use it to predict unseen ratings. The prospect of producing accurate rating predictions using a similarity-popularity model with hidden metric spaces and dot-product similarity is explored. The proposed approach is implemented and experimentally compared against baseline and state-of-the-art recommendation methods on 21 datasets from various domains. The experimental results demonstrate that the proposed method produces accurate predictions and outperforms existing methods. We also show that the proposed approach produces superior results in low dimensions, proving its effectiveness for data visualization and exploration.

Directed evolution is a versatile technique in protein engineering that mimics the process of natural selection by iteratively alternating between mutagenesis and screening in order to search for sequences that optimize a given property of interest, such as catalytic activity and binding affinity to a specified target. However, the space of possible proteins is too large to search exhaustively in the laboratory, and functional proteins are scarce in the vast sequence space. Machine learning (ML) approaches can accelerate directed evolution by learning to map protein sequences to functions without building a detailed model of the underlying physics, chemistry and biological pathways. Despite the great potentials held by these ML methods, they encounter severe challenges in identifying the most suitable sequences for a targeted function. These failures can be attributed to the common practice of adopting a high-dimensional feature representation for protein sequences and inefficient search methods. To address these issues, we propose an efficient, experimental design-oriented closed-loop optimization framework for protein directed evolution, termed ODBO, which employs a combination of novel low-dimensional protein encoding strategy and Bayesian optimization enhanced with search space prescreening via outlier detection. We further design an initial sample selection strategy to minimize the number of experimental samples for training ML models. We conduct and report four protein directed evolution experiments that substantiate the capability of the proposed framework for finding of the variants with properties of interest. We expect the ODBO framework to greatly reduce the experimental cost and time cost of directed evolution, and can be further generalized as a powerful tool for adaptive experimental design in a broader context.

We present an efficient approach for Masked Image Modeling (MIM) with hierarchical Vision Transformers (ViTs), allowing the hierarchical ViTs to discard masked patches and operate only on the visible ones. Our approach consists of three key designs. First, for window attention, we propose a Group Window Attention scheme following the Divide-and-Conquer strategy. To mitigate the quadratic complexity of the self-attention w.r.t. the number of patches, group attention encourages a uniform partition that visible patches within each local window of arbitrary size can be grouped with equal size, where masked self-attention is then performed within each group. Second, we further improve the grouping strategy via the Dynamic Programming algorithm to minimize the overall computation cost of the attention on the grouped patches. Third, as for the convolution layers, we convert them to the Sparse Convolution that works seamlessly with the sparse data, i.e., the visible patches in MIM. As a result, MIM can now work on most, if not all, hierarchical ViTs in a green and efficient way. For example, we can train the hierarchical ViTs, e.g., Swin Transformer and Twins Transformer, about 2.7$\times$ faster and reduce the GPU memory usage by 70%, while still enjoying competitive performance on ImageNet classification and the superiority on downstream COCO object detection benchmarks. Code and pre-trained models have been made publicly available at https://github.com/LayneH/GreenMIM.

We study the loss surface of DNNs with $L_{2}$ regularization. We show that the loss in terms of the parameters can be reformulated into a loss in terms of the layerwise activations $Z_{\ell}$ of the training set. This reformulation reveals the dynamics behind feature learning: each hidden representations $Z_{\ell}$ are optimal w.r.t. to an attraction/repulsion problem and interpolate between the input and output representations, keeping as little information from the input as necessary to construct the activation of the next layer. For positively homogeneous non-linearities, the loss can be further reformulated in terms of the covariances of the hidden representations, which takes the form of a partially convex optimization over a convex cone. This second reformulation allows us to prove a sparsity result for homogeneous DNNs: any local minimum of the $L_{2}$-regularized loss can be achieved with at most $N(N+1)$ neurons in each hidden layer (where $N$ is the size of the training set). We show that this bound is tight by giving an example of a local minimum that requires $N^{2}/4$ hidden neurons. But we also observe numerically that in more traditional settings much less than $N^{2}$ neurons are required to reach the minima.

Anomaly detection in time-series has a wide range of practical applications. While numerous anomaly detection methods have been proposed in the literature, a recent survey concluded that no single method is the most accurate across various datasets. To make matters worse, anomaly labels are scarce and rarely available in practice. The practical problem of selecting the most accurate model for a given dataset without labels has received little attention in the literature. This paper answers this question i.e. Given an unlabeled dataset and a set of candidate anomaly detectors, how can we select the most accurate model? To this end, we identify three classes of surrogate (unsupervised) metrics, namely, prediction error, model centrality, and performance on injected synthetic anomalies, and show that some metrics are highly correlated with standard supervised anomaly detection performance metrics such as the $F_1$ score, but to varying degrees. We formulate metric combination with multiple imperfect surrogate metrics as a robust rank aggregation problem. We then provide theoretical justification behind the proposed approach. Large-scale experiments on multiple real-world datasets demonstrate that our proposed unsupervised approach is as effective as selecting the most accurate model based on partially labeled data.

Domain generalization (DG) seeks predictors which perform well on unseen test distributions by leveraging data drawn from multiple related training distributions or domains. To achieve this, DG is commonly formulated as an average- or worst-case problem over the set of possible domains. However, predictors that perform well on average lack robustness while predictors that perform well in the worst case tend to be overly-conservative. To address this, we propose a new probabilistic framework for DG where the goal is to learn predictors that perform well with high probability. Our key idea is that distribution shifts seen during training should inform us of probable shifts at test time, which we realize by explicitly relating training and test domains as draws from the same underlying meta-distribution. To achieve probable DG, we propose a new optimization problem called Quantile Risk Minimization (QRM). By minimizing the $\alpha$-quantile of predictor's risk distribution over domains, QRM seeks predictors that perform well with probability $\alpha$. To solve QRM in practice, we propose the Empirical QRM (EQRM) algorithm, and prove: (i) a generalization bound for EQRM; and (ii) that EQRM recovers the causal predictor as $\alpha \to 1$. In our experiments, we introduce a more holistic quantile-focused evaluation protocol for DG, and demonstrate that EQRM outperforms state-of-the-art baselines on CMNIST and several datasets from WILDS and DomainBed.

Minimizing the inclusive Kullback-Leibler (KL) divergence with stochastic gradient descent (SGD) is challenging since its gradient is defined as an integral over the posterior. Recently, multiple methods have been proposed to run SGD with biased gradient estimates obtained from a Markov chain. This paper provides the first non-asymptotic convergence analysis of these methods by establishing their mixing rate and gradient variance. To do this, we demonstrate that these methods-which we collectively refer to as Markov chain score ascent (MCSA) methods-can be cast as special cases of the Markov chain gradient descent framework. Furthermore, by leveraging this new understanding, we develop a novel MCSA scheme, parallel MCSA (pMCSA), that achieves a tighter bound on the gradient variance. We demonstrate that this improved theoretical result translates to superior empirical performance.

Modern approximations to Gaussian processes are suitable for "tall data", with a cost that scales well in the number of observations, but under-performs on ``wide data'', scaling poorly in the number of input features. That is, as the number of input features grows, good predictive performance requires the number of summarising variables, and their associated cost, to grow rapidly. We introduce a kernel that allows the number of summarising variables to grow exponentially with the number of input features, but requires only linear cost in both number of observations and input features. This scaling is achieved through our introduction of the B\'ezier buttress, which allows approximate inference without computing matrix inverses or determinants. We show that our kernel has close similarities to some of the most used kernels in Gaussian process regression, and empirically demonstrate the kernel's ability to scale to both tall and wide datasets.

This paper considers offline multi-agent reinforcement learning. We propose the strategy-wise concentration principle which directly builds a confidence interval for the joint strategy, in contrast to the point-wise concentration principle that builds a confidence interval for each point in the joint action space. For two-player zero-sum Markov games, by exploiting the convexity of the strategy-wise bonus, we propose a computationally efficient algorithm whose sample complexity enjoys a better dependency on the number of actions than the prior methods based on the point-wise bonus. Furthermore, for offline multi-agent general-sum Markov games, based on the strategy-wise bonus and a novel surrogate function, we give the first algorithm whose sample complexity only scales $\sum_{i=1}^mA_i$ where $A_i$ is the action size of the $i$-th player and $m$ is the number of players. In sharp contrast, the sample complexity of methods based on the point-wise bonus would scale with the size of the joint action space $\Pi_{i=1}^m A_i$ due to the curse of multiagents. Lastly, all of our algorithms can naturally take a pre-specified strategy class $\Pi$ as input and output a strategy that is close to the best strategy in $\Pi$. In this setting, the sample complexity only scales with $\log |\Pi|$ instead of $\sum_{i=1}^mA_i$.

Adaptive algorithms like AdaGrad and AMSGrad are successful in nonconvex optimization owing to their parameter-agnostic ability -- requiring no a priori knowledge about problem-specific parameters nor tuning of learning rates. However, when it comes to nonconvex minimax optimization, direct extensions of such adaptive optimizers without proper time-scale separation may fail to work in practice. We provide such an example proving that the simple combination of Gradient Descent Ascent (GDA) with adaptive stepsizes can diverge if the primal-dual stepsize ratio is not carefully chosen; hence, a fortiori, such adaptive extensions are not parameter-agnostic. To address the issue, we formally introduce a Nested Adaptive framework, NeAda for short, that carries an inner loop for adaptively maximizing the dual variable with controllable stopping criteria and an outer loop for adaptively minimizing the primal variable. Such mechanism can be equipped with off-the-shelf adaptive optimizers and automatically balance the progress in the primal and dual variables. Theoretically, for nonconvex-strongly-concave minimax problems, we show that NeAda can achieve the near-optimal $\tilde{O}(\epsilon^{-2})$ and $\tilde{O}(\epsilon^{-4})$ gradient complexities respectively in the deterministic and stochastic settings, without prior information on the problem's smoothness and strong concavity parameters. To the best of our knowledge, this is the first algorithm that simultaneously achieves near-optimal convergence rates and parameter-agnostic adaptation in the nonconvex minimax setting. Numerically, we further illustrate the robustness of the NeAda family with experiments on simple test functions and a real-world application.

In this paper, we investigate Nash-regret minimization in congestion games, a class of games with benign theoretical structure and broad real-world applications. We first propose a centralized algorithm based on the optimism in the face of uncertainty principle for congestion games with (semi-)bandit feedback, and obtain finite-sample guarantees. Then we propose a decentralized algorithm via a novel combination of the Frank-Wolfe method and G-optimal design. By exploiting the structure of the congestion game, we show the sample complexity of both algorithms depends only polynomially on the number of players and the number of facilities, but not the size of the action set, which can be exponentially large in terms of the number of facilities. We further define a new problem class, Markov congestion games, which allows us to model the non-stationarity in congestion games. We propose a centralized algorithm for Markov congestion games, whose sample complexity again has only polynomial dependence on all relevant problem parameters, but not the size of the action set.

Variational quantum algorithms (VQAs) have demonstrated great potentials in the NISQ era. In the workflow of VQA, the parameters of ansatz are iteratively updated to approximate the desired quantum states. We have seen various efforts to draft better ansatz with less gates. In quantum computers, the gate ansatz will eventually be transformed into control signals such as microwave pulses on transmons. And the control pulses need elaborate calibration to minimize the errors such as over-rotation and under-rotation. In the case of VQAs, this procedure will introduce redundancy, but the variational properties of VQAs can naturally handle problems of over-rotation and under-rotation by updating the amplitude and frequency parameters. Therefore, we propose PAN, a native-pulse ansatz generator framework for VQAs. We generate native-pulse ansatz with trainable parameters for amplitudes and frequencies. In our proposed PAN, we are tuning parametric pulses, which are natively supported on NISQ computers. Considering that parameter-shift rules do not hold for native-pulse ansatz, we need to deploy non-gradient optimizers. To constrain the number of parameters sent to the optimizer, we adopt a progressive way to generate our native-pulse ansatz. Experiments are conducted on both simulators and quantum devices to validate our methods. When adopted on NISQ machines, PAN obtained improved the performance with decreased latency by an average of 86%. PAN is able to achieve 96.482% and 99.336% accuracy for VQE tasks on H2 and HeH+ respectively, An average accuracy of 97.27% is achieved for medium-size VQE tasks on CO2, H2O, and NaH. PAN also demonstrates advantages on QAOA tasks even with considerable noises in NISQ machines.

Parametric verification of linear temporal properties for stochastic models can be expressed as computing the satisfaction probability of a certain property as a function of the parameters of the model. Smoothed model checking (smMC) aims at inferring the satisfaction function over the entire parameter space from a limited set of observations obtained via simulation. As observations are costly and noisy, smMC is framed as a Bayesian inference problem so that the estimates have an additional quantification of the uncertainty. In smMC the authors use Gaussian Processes (GP), inferred by means of the Expectation Propagation algorithm. This approach provides accurate reconstructions with statistically sound quantification of the uncertainty. However, it inherits the well-known scalability issues of GP. In this paper, we exploit recent advances in probabilistic machine learning to push this limitation forward, making Bayesian inference of smMC scalable to larger datasets and enabling its application to models with high dimensional parameter spaces. We propose Stochastic Variational Smoothed Model Checking (SV-smMC), a solution that exploits stochastic variational inference (SVI) to approximate the posterior distribution of the smMC problem. The strength and flexibility of SVI make SV-smMC applicable to two alternative probabilistic models: Gaussian Processes (GP) and Bayesian Neural Networks (BNN). The core ingredient of SVI is a stochastic gradient-based optimization that makes inference easily parallelizable and that enables GPU acceleration. In this paper, we compare the performances of smMC against those of SV-smMC by looking at the scalability, the computational efficiency and the accuracy of the reconstructed satisfaction function.

The cyber-threat landscape has evolved tremendously in recent years, with new threat variants emerging daily, and large-scale coordinated campaigns becoming more prevalent. In this study, we propose CELEST (CollaborativE LEarning for Scalable Threat detection, a federated machine learning framework for global threat detection over HTTP, which is one of the most commonly used protocols for malware dissemination and communication. CELEST leverages federated learning in order to collaboratively train a global model across multiple clients who keep their data locally, thus providing increased privacy and confidentiality assurances. Through a novel active learning component integrated with the federated learning technique, our system continuously discovers and learns the behavior of new, evolving, and globally-coordinated cyber threats. We show that CELEST is able to expose attacks that are largely invisible to individual organizations. For instance, in one challenging attack scenario with data exfiltration malware, the global model achieves a three-fold increase in Precision-Recall AUC compared to the local model. We also design a poisoning detection and mitigation method, DTrust, specifically designed for federated learning in the collaborative threat detection domain. DTrust successfully detects poisoning clients using the feedback from participating clients to investigate and remove them from the training process. We deploy CELEST on two university networks and show that it is able to detect the malicious HTTP communication with high precision and low false positive rates. Furthermore, during its deployment, CELEST detected a set of previously unknown 42 malicious URLs and 20 malicious domains in one day, which were confirmed to be malicious by VirusTotal.

We study anomaly detection for the case when the normal class consists of more than one object category. This is an obvious generalization of the standard one-class anomaly detection problem. However, we show that jointly using multiple one-class anomaly detectors to solve this problem yields poorer results as compared to training a single one-class anomaly detector on all normal object categories together. We further develop a new anomaly detector called DeepMAD that learns compact distinguishing features by exploiting the multiple normal objects categories. This algorithm achieves higher AUC values for different datasets compared to two top performing one-class algorithms that either are trained on each normal object category or jointly trained on all normal object categories combined. In addition to theoretical results we present empirical results using the CIFAR-10, fMNIST, CIFAR-100, and a new dataset we developed called RECYCLE.

We propose a novel positional encoding for learning graph on Transformer architecture. Existing approaches either linearize a graph to encode absolute position in the sequence of nodes, or encode relative position with another node using bias terms. The former loses preciseness of relative position from linearization, while the latter loses a tight integration of node-edge and node-topology interaction. To overcome the weakness of the previous approaches, our method encodes a graph without linearization and considers both node-topology and node-edge interaction. We name our method Graph Relative Positional Encoding dedicated to graph representation learning. Experiments conducted on various graph datasets show that the proposed method outperforms previous approaches significantly. Our code is publicly available at https://github.com/lenscloth/GRPE.

Federated learning has been proposed as a privacy-preserving machine learning framework that enables multiple clients to collaborate without sharing raw data. However, client privacy protection is not guaranteed by design in this framework. Prior work has shown that the gradient sharing strategies in federated learning can be vulnerable to data reconstruction attacks. In practice, though, clients may not transmit raw gradients considering the high communication cost or due to privacy enhancement requirements. Empirical studies have demonstrated that gradient obfuscation, including intentional obfuscation via gradient noise injection and unintentional obfuscation via gradient compression, can provide more privacy protection against reconstruction attacks. In this work, we present a new data reconstruction attack framework targeting the image classification task in federated learning. We show that commonly adopted gradient postprocessing procedures, such as gradient quantization, gradient sparsification, and gradient perturbation, may give a false sense of security in federated learning. Contrary to prior studies, we argue that privacy enhancement should not be treated as a byproduct of gradient compression. Additionally, we design a new method under the proposed framework to reconstruct the image at the semantic level. We quantify the semantic privacy leakage and compare with conventional based on image similarity scores. Our comparisons challenge the image data leakage evaluation schemes in the literature. The results emphasize the importance of revisiting and redesigning the privacy protection mechanisms for client data in existing federated learning algorithms.

This work identifies the existence and cause of a type of posterior collapse that frequently occurs in the Bayesian deep learning practice. For a general linear latent variable model that includes linear variational autoencoders as a special case, we precisely identify the nature of posterior collapse to be the competition between the likelihood and the regularization of the mean due to the prior. Our result suggests that posterior collapse may be related to neural collapse and dimensional collapse and could be a subclass of a general problem of learning for deeper architectures.

Driving trajectory representation learning is of great significance for various location-based services, such as driving pattern mining and route recommendation. However, previous representation generation approaches tend to rarely address three challenges: 1) how to represent the intricate semantic intentions of mobility inexpensively; 2) complex and weak spatial-temporal dependencies due to the sparsity and heterogeneity of the trajectory data; 3) route selection preferences and their correlation to driving behavior. In this paper, we propose a novel multimodal fusion model, DouFu, for trajectory representation joint learning, which applies multimodal learning and attention fusion module to capture the internal characteristics of trajectories. We first design movement, route, and global features generated from the trajectory data and urban functional zones and then analyze them respectively with the attention encoder or feed forward network. The attention fusion module incorporates route features with movement features to create a better spatial-temporal embedding. With the global semantic feature, DouFu produces a comprehensive embedding for each trajectory. We evaluate representations generated by our method and other baseline models on classification and clustering tasks. Empirical results show that DouFu outperforms other models in most of the learning algorithms like the linear regression and the support vector machine by more than 10%.

Meta-learning hyperparameter optimization (HPO) algorithms from prior experiments is a promising approach to improve optimization efficiency over objective functions from a similar distribution. However, existing methods are restricted to learning from experiments sharing the same set of hyperparameters. In this paper, we introduce the OptFormer, the first text-based Transformer HPO framework that provides a universal end-to-end interface for jointly learning policy and function prediction when trained on vast tuning data from the wild, such as Google's Vizier database, one of the world's largest HPO datasets. Our extensive experiments demonstrate that the OptFormer can simultaneously imitate at least 7 different HPO algorithms, which can be further improved via its function uncertainty estimates. Compared to a Gaussian Process, the OptFormer also learns a robust prior distribution for hyperparameter response functions, and can thereby provide more accurate and better calibrated predictions. This work paves the path to future extensions for training a Transformer-based model as a general HPO optimizer.

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In particular, graph augmentation techniques have shown promising results in improving graph-based and node-based classification tasks. Still, they have rarely been explored in the existing GNN-based subgraph representation learning studies. In this study, we develop a novel multi-view augmentation mechanism to improve subgraph representation learning models and thus the accuracy of downstream prediction tasks. Our augmentation technique creates multiple variants of subgraphs and embeds these variants into the original graph to achieve highly improved training efficiency, scalability, and accuracy. Benchmark experiments on several real-world biological and physiological datasets demonstrate the superiority of our proposed multi-view augmentation techniques in subgraph representation learning.

We study the average robustness notion in deep neural networks in (selected) wide and narrow, deep and shallow, as well as lazy and non-lazy training settings. We prove that in the under-parameterized setting, width has a negative effect while it improves robustness in the over-parameterized setting. The effect of depth closely depends on the initialization and the training mode. In particular, when initialized with LeCun initialization, depth helps robustness with the lazy training regime. In contrast, when initialized with Neural Tangent Kernel (NTK) and He-initialization, depth hurts the robustness. Moreover, under the non-lazy training regime, we demonstrate how the width of a two-layer ReLU network benefits robustness. Our theoretical developments improve the results by [Huang et al. NeurIPS21; Wu et al. NeurIPS21] and are consistent with [Bubeck and Sellke NeurIPS21; Bubeck et al. COLT21].

With the Autonomous Vehicle (AV) industry shifting towards machine-learned approaches for motion planning, the performance of self-driving systems is starting to rely heavily on large quantities of expert driving demonstrations. However, collecting this demonstration data typically involves expensive HD sensor suites (LiDAR + RADAR + cameras), which quickly becomes financially infeasible at the scales required. This motivates the use of commodity sensors like cameras for data collection, which are an order of magnitude cheaper than HD sensor suites, but offer lower fidelity. Leveraging these sensors for training an AV motion planner opens a financially viable path to observe the `long tail' of driving events. As our main contribution we show it is possible to train a high-performance motion planner using commodity vision data which outperforms planners trained on HD-sensor data for a fraction of the cost. To the best of our knowledge, we are the first to demonstrate this using real-world data. We compare the performance of the autonomy system on these two different sensor configurations, and show that we can compensate for the lower sensor fidelity by means of increased quantity: a planner trained on 100h of commodity vision data outperforms the one with 25h of expensive HD data. We also share the engineering challenges we had to tackle to make this work.

In this work, we study data-driven decision-making and depart from the classical identically and independently distributed (i.i.d.) assumption. We present a new framework in which historical samples are generated from unknown and different distributions, which we dub heterogeneous environments. These distributions are assumed to lie in a heterogeneity ball with known radius and centered around the (also) unknown future (out-of-sample) distribution on which the performance of a decision will be evaluated. We quantify the asymptotic worst-case regret that is achievable by central data-driven policies such as Sample Average Approximation, but also by rate-optimal ones, as a function of the radius of the heterogeneity ball. Our work shows that the type of achievable performance varies considerably across different combinations of problem classes and notions of heterogeneity. We demonstrate the versatility of our framework by comparing achievable guarantees for the heterogeneous version of widely studied data-driven problems such as pricing, ski-rental, and newsvendor. En route, we establish a new connection between data-driven decision-making and distributionally robust optimization.

Machine learning applications frequently come with multiple diverse objectives and constraints that can change over time. Accordingly, trained models can be tuned with sets of hyper-parameters that affect their predictive behavior (e.g., their run-time efficiency versus error rate). As the number of constraints and hyper-parameter dimensions grow, naively selected settings may lead to sub-optimal and/or unreliable results. We develop an efficient method for calibrating models such that their predictions provably satisfy multiple explicit and simultaneous statistical guarantees (e.g., upper-bounded error rates), while also optimizing any number of additional, unconstrained objectives (e.g., total run-time cost). Building on recent results in distribution-free, finite-sample risk control for general losses, we propose Pareto Testing: a two-stage process which combines multi-objective optimization with multiple hypothesis testing. The optimization stage constructs a set of promising combinations on the Pareto frontier. We then apply statistical testing to this frontier only to identify configurations that have (i) high utility with respect to our objectives, and (ii) guaranteed risk levels with respect to our constraints, with specifiable high probability. We demonstrate the effectiveness of our approach to reliably accelerate the execution of large-scale Transformer models in natural language processing (NLP) applications. In particular, we show how Pareto Testing can be used to dynamically configure multiple inter-dependent model attributes -- including the number of layers computed before exiting, number of attention heads pruned, or number of text tokens considered -- to simultaneously control and optimize various accuracy and cost metrics.

We propose a constrained linear data-feature-mapping model as an interpretable mathematical model for image classification using a convolutional neural network (CNN). From this viewpoint, we establish detailed connections between the traditional iterative schemes for linear systems and the architectures of the basic blocks of ResNet- and MgNet-type models. Using these connections, we present some modified ResNet models that compared with the original models have fewer parameters and yet can produce more accurate results, thereby demonstrating the validity of this constrained learning data-feature-mapping assumption. Based on this assumption, we further propose a general data-feature iterative scheme to show the rationality of MgNet. We also provide a systematic numerical study on MgNet to show its success and advantages in image classification problems and demonstrate its advantages in comparison with established networks.

Physics-driven deep learning methods have emerged as a powerful tool for computational magnetic resonance imaging (MRI) problems, pushing reconstruction performance to new limits. This article provides an overview of the recent developments in incorporating physics information into learning-based MRI reconstruction. We consider inverse problems with both linear and non-linear forward models for computational MRI, and review the classical approaches for solving these. We then focus on physics-driven deep learning approaches, covering physics-driven loss functions, plug-and-play methods, generative models, and unrolled networks. We highlight domain-specific challenges such as real- and complex-valued building blocks of neural networks, and translational applications in MRI with linear and non-linear forward models. Finally, we discuss common issues and open challenges, and draw connections to the importance of physics-driven learning when combined with other downstream tasks in the medical imaging pipeline.

We prove limitations on what neural networks trained by noisy gradient descent (GD) can efficiently learn. Our results apply whenever GD training is equivariant, which holds for many standard architectures and initializations. As applications, (i) we characterize the functions that fully-connected networks can weak-learn on the binary hypercube and unit sphere, demonstrating that depth-2 is as powerful as any other depth for this task; (ii) we extend the merged-staircase necessity result for learning with latent low-dimensional structure [ABM22] to beyond the mean-field regime. Under cryptographic assumptions, we also show hardness results for learning with fully-connected networks trained by stochastic gradient descent (SGD).

Semi-supervised learning (SSL) improves model generalization by leveraging massive unlabeled data to augment limited labeled samples. However, currently, popular SSL evaluation protocols are often constrained to computer vision (CV) tasks. In addition, previous work typically trains deep neural networks from scratch, which is time-consuming and environmentally unfriendly. To address the above issues, we construct a Unified SSL Benchmark (USB) for classification by selecting 15 diverse, challenging, and comprehensive tasks from CV, natural language processing (NLP), and audio processing (Audio), on which we systematically evaluate the dominant SSL methods, and also open-source a modular and extensible codebase for fair evaluation of these SSL methods. We further provide the pre-trained versions of the state-of-the-art neural models for CV tasks to make the cost affordable for further tuning. USB enables the evaluation of a single SSL algorithm on more tasks from multiple domains but with less cost. Specifically, on a single NVIDIA V100, only 39 GPU days are required to evaluate FixMatch on 15 tasks in USB while 335 GPU days (279 GPU days on 4 CV datasets except for ImageNet) are needed on 5 CV tasks with TorchSSL.

In learning with recurrent or very deep feed-forward networks, employing unitary matrices in each layer can be very effective at maintaining long-range stability. However, restricting network parameters to be unitary typically comes at the cost of expensive parameterizations or increased training runtime. We propose instead an efficient method based on rank-$k$ updates -- or their rank-$k$ approximation -- that maintains performance at a nearly optimal training runtime. We introduce two variants of this method, named Direct (projUNN-D) and Tangent (projUNN-T) projected Unitary Neural Networks, that can parameterize full $N$-dimensional unitary or orthogonal matrices with a training runtime scaling as $O(kN^2)$. Our method either projects low-rank gradients onto the closest unitary matrix (projUNN-T) or transports unitary matrices in the direction of the low-rank gradient (projUNN-D). Even in the fastest setting ($k=1$), projUNN is able to train a model's unitary parameters to reach comparable performances against baseline implementations. In recurrent neural network settings, projUNN closely matches or exceeds benchmarked results from prior unitary neural networks. Finally, we preliminarily explore projUNN in training orthogonal convolutional neural networks, which are currently unable to outperform state of the art models but can potentially enhance stability and robustness at large depth.

Differential privacy (DP) is one data protection avenue to safeguard user information used for training deep models by imposing noisy distortion on privacy data. Such a noise perturbation often results in a severe performance degradation in automatic speech recognition (ASR) in order to meet a privacy budget $\varepsilon$. Private aggregation of teacher ensemble (PATE) utilizes ensemble probabilities to improve ASR accuracy when dealing with the noise effects controlled by small values of $\varepsilon$. We extend PATE learning to work with dynamic patterns, namely speech utterances, and perform a first experimental demonstration that it prevents acoustic data leakage in ASR training. We evaluate three end-to-end deep models, including LAS, hybrid CTC/attention, and RNN transducer, on the open-source LibriSpeech and TIMIT corpora. PATE learning-enhanced ASR models outperform the benchmark DP-SGD mechanisms, especially under strict DP budgets, giving relative word error rate reductions between 26.2% and 27.5% for an RNN transducer model evaluated with LibriSpeech. We also introduce a DP-preserving ASR solution for pretraining on public speech corpora.

Identification theory for causal effects in causal models associated with hidden variable directed acyclic graphs (DAGs) is well studied. However, the corresponding algorithms are underused due to the complexity of estimating the identifying functionals they output. In this work, we bridge the gap between identification and estimation of population-level causal effects involving a single treatment and a single outcome. We derive influence function based estimators that exhibit double robustness for the identified effects in a large class of hidden variable DAGs where the treatment satisfies a simple graphical criterion; this class includes models yielding the adjustment and front-door functionals as special cases. We also provide necessary and sufficient conditions under which the statistical model of a hidden variable DAG is nonparametrically saturated and implies no equality constraints on the observed data distribution. Further, we derive an important class of hidden variable DAGs that imply observed data distributions observationally equivalent (up to equality constraints) to fully observed DAGs. In these classes of DAGs, we derive estimators that achieve the semiparametric efficiency bounds for the target of interest where the treatment satisfies our graphical criterion. Finally, we provide a sound and complete identification algorithm that directly yields a weight based estimation strategy for any identifiable effect in hidden variable causal models.

One of the greatest sources of uncertainty in future climate projections comes from limitations in modelling clouds and in understanding how different cloud types interact with the climate system. A key first step in reducing this uncertainty is to accurately classify cloud types at high spatial and temporal resolution. In this paper, we introduce Cumulo, a benchmark dataset for training and evaluating global cloud classification models. It consists of one year of 1km resolution MODIS hyperspectral imagery merged with pixel-width 'tracks' of CloudSat cloud labels. Bringing these complementary datasets together is a crucial first step, enabling the Machine-Learning community to develop innovative new techniques which could greatly benefit the Climate community. To showcase Cumulo, we provide baseline performance analysis using an invertible flow generative model (IResNet), which further allows us to discover new sub-classes for a given cloud class by exploring the latent space. To compare methods, we introduce a set of evaluation criteria, to identify models that are not only accurate, but also physically-realistic. CUMULO can be download from https://www.dropbox.com/sh/i3s9q2v2jjyk2it/AACxXnXfMF5wuIqLXqH4NJOra?dl=0 .

In this paper, we are concerned with a non-asymptotic analysis of sampling algorithms used in nonconvex optimization. In particular, we obtain non-asymptotic estimates in Wasserstein-1 and Wasserstein-2 distances for a popular class of algorithms called Stochastic Gradient Langevin Dynamics (SGLD). In addition, the aforementioned Wasserstein-2 convergence result can be applied to establish a non-asymptotic error bound for the expected excess risk. Crucially, these results are obtained under a local Lipschitz condition and a local dissipativity condition where we remove the uniform dependence in the data stream. We illustrate the importance of this relaxation by presenting examples from variational inference and from index tracking optimization.

The recently proposed identifiable variational autoencoder (iVAE) framework provides a promising approach for learning latent independent components (ICs). iVAEs use auxiliary covariates to build an identifiable generation structure from covariates to ICs to observations, and the posterior network approximates ICs given observations and covariates. Though the identifiability is appealing, we show that iVAEs could have local minimum solution where observations and the approximated ICs are independent given covariates.-a phenomenon we referred to as the posterior collapse problem of iVAEs. To overcome this problem, we develop a new approach, covariate-informed iVAE (CI-iVAE) by considering a mixture of encoder and posterior distributions in the objective function. In doing so, the objective function prevents the posterior collapse, resulting latent representations that contain more information of the observations. Furthermore, CI-iVAEs extend the original iVAE objective function to a larger class and finds the optimal one among them, thus having tighter evidence lower bounds than the original iVAE. Experiments on simulation datasets, EMNIST, Fashion-MNIST, and a large-scale brain imaging dataset demonstrate the effectiveness of our new method.

Airbnb is a two-sided marketplace, bringing together hosts who own listings for rent, with prospective guests from around the globe. Applying neural network-based learning to rank techniques has led to significant improvements in matching guests with hosts. These improvements in ranking were driven by a core strategy: order the listings by their estimated booking probabilities, then iterate on techniques to make these booking probability estimates more and more accurate. Embedded implicitly in this strategy was an assumption that the booking probability of a listing could be determined independently of other listings in search results. In this paper we discuss how this assumption, pervasive throughout the commonly-used learning to rank frameworks, is false. We provide a theoretical foundation correcting this assumption, followed by efficient neural network architectures based on the theory. Explicitly accounting for possible similarities between listings, and reducing them to diversify the search results generated strong positive impact. We discuss these metric wins as part of the online A/B tests of the theory. Our method provides a practical way to diversify search results for large-scale production ranking systems.

Sarcasm Detection has enjoyed great interest from the research community, however the task of predicting sarcasm in a text remains an elusive problem for machines. Past studies mostly make use of twitter datasets collected using hashtag based supervision but such datasets are noisy in terms of labels and language. To overcome these shortcoming, we introduce a new dataset which contains news headlines from a sarcastic news website and a real news website. Next, we propose a hybrid Neural Network architecture with attention mechanism which provides insights about what actually makes sentences sarcastic. Through experiments, we show that the proposed model improves upon the baseline by ~ 5% in terms of classification accuracy.

The following work is a preprint collection of formal proofs regarding the convergence properties of the AdaBoost machine learning algorithm's classifier and margins. Various math and computer science papers have been written regarding conjectures and special cases of these convergence properties. Furthermore, the margins of AdaBoost feature prominently in the research surrounding the algorithm. At the zenith of this paper we present how AdaBoost's classifier and margins converge on a value that agrees with decades of research. After this, we show how various quantities associated with the combined classifier converge.

Social networks are frequently polluted by rumors, which can be detected by advanced models such as graph neural networks. However, the models are vulnerable to attacks and understanding the vulnerabilities is critical to rumor detection in practice. To discover subtle vulnerabilities, we design a powerful attacking algorithm to camouflage rumors in social networks based on reinforcement learning that can interact with and attack any black-box detectors. The environment has exponentially large state spaces, high-order graph dependencies, and delayed noisy rewards, making the state-of-the-art end-to-end approaches difficult to learn features as large learning costs and expressive limitation of graph deep models. Instead, we design domain-specific features to avoid learning features and produce interpretable attack policies. To further speed up policy optimization, we devise: (i) a credit assignment method that decomposes delayed rewards to atomic attacking actions proportional to the their camouflage effects on target rumors; (ii) a time-dependent control variate to reduce reward variance due to large graphs and many attacking steps, supported by the reward variance analysis and a Bayesian analysis of the prediction distribution. On three real world datasets of rumor detection tasks, we demonstrate: (i) the effectiveness of the learned attacking policy compared to rule-based attacks and current end-to-end approaches; (ii) the usefulness of the proposed credit assignment strategy and variance reduction components; (iii) the interpretability of the policy when generating strong attacks via the case study.

Novel category discovery aims at adapting models trained on known categories to novel categories. Previous works only focus on the scenario where known and novel categories are of the same granularity. In this paper, we investigate a new practical scenario called Fine-grained Category Discovery under Coarse-grained supervision (FCDC). FCDC aims at discovering fine-grained categories with only coarse-grained labeled data, which can adapt models to categories of different granularity from known ones and reduce significant labeling cost. It is also a challenging task since supervised training on coarse-grained categories tends to focus on inter-class distance (distance between coarse-grained classes) but ignore intra-class distance (distance between fine-grained sub-classes) which is essential for separating fine-grained categories. Considering most current methods cannot transfer knowledge from coarse-grained level to fine-grained level, we propose a hierarchical weighted self-contrastive network by building a novel weighted self-contrastive module and combining it with supervised learning in a hierarchical manner. Extensive experiments on public datasets show both effectiveness and efficiency of our model over compared methods. Code and data are available at https://github.com/Lackel/Hierarchical_Weighted_SCL.

Motion generation in cluttered, dense, and dynamic environments is a central topic in robotics, rendered as a multi-objective decision-making problem. Current approaches trade-off between safety and performance. On the one hand, reactive policies guarantee fast response to environmental changes at the risk of suboptimal behavior. On the other hand, planning-based motion generation provides feasible trajectories, but the high computational cost may limit the control frequency and thus safety. To combine the benefits of reactive policies and planning, we propose a hierarchical motion generation method. Moreover, we adopt probabilistic inference methods to formalize the hierarchical model and stochastic optimization. We realize this approach as a weighted product of stochastic, reactive expert policies, where planning is used to adaptively compute the optimal weights over the task horizon. This stochastic optimization avoids local optima and proposes feasible reactive plans that find paths in cluttered and dense environments. Our extensive experimental study in planar navigation and 6DoF manipulation shows that our proposed hierarchical motion generation method outperforms both myopic reactive controllers and online re-planning methods.

Object-oriented reinforcement learning (OORL) is a promising way to improve the sample efficiency and generalization ability over standard RL. Recent works that try to solve OORL tasks without additional feature engineering mainly focus on learning the object representations and then solving tasks via reasoning based on these object representations. However, none of these works tries to explicitly model the inherent similarity between different object instances of the same category. Objects of the same category should share similar functionalities; therefore, the category is the most critical property of an object. Following this insight, we propose a novel framework named Object-Category Aware Reinforcement Learning (OCARL), which utilizes the category information of objects to facilitate both perception and reasoning. OCARL consists of three parts: (1) Category-Aware Unsupervised Object Discovery (UOD), which discovers the objects as well as their corresponding categories; (2) Object-Category Aware Perception, which encodes the category information and is also robust to the incompleteness of (1) at the same time; (3) Object-Centric Modular Reasoning, which adopts multiple independent and object-category-specific networks when reasoning based on objects. Our experiments show that OCARL can improve both the sample efficiency and generalization in the OORL domain.

Neural Architecture Search (NAS) has fostered the automatic discovery of state-of-the-art neural architectures. Despite the progress achieved with NAS, so far there is little attention to theoretical guarantees on NAS. In this work, we study the generalization properties of NAS under a unifying framework enabling (deep) layer skip connection search and activation function search. To this end, we derive the lower (and upper) bounds of the minimum eigenvalue of the Neural Tangent Kernel (NTK) under the (in)finite-width regime using a certain search space including mixed activation functions, fully connected, and residual neural networks. We use the minimum eigenvalue to establish generalization error bounds of NAS in the stochastic gradient descent training. Importantly, we theoretically and experimentally show how the derived results can guide NAS to select the top-performing architectures, even in the case without training, leading to a train-free algorithm based on our theory. Accordingly, our numerical validation shed light on the design of computationally efficient methods for NAS. Our analysis is non-trivial due to the coupling of various architectures and activation functions under the unifying framework and has its own interest in providing the lower bound of the minimum eigenvalue of NTK in deep learning theory.

Deep learning has been widely deployed for online ads systems to predict Click-Through Rate (CTR). Machine learning researchers and practitioners frequently retrain CTR models to test their new extracted features. However, the CTR model training often relies on a large number of raw input data logs. Hence, the feature extraction can take a significant proportion of the training time for an industrial-level CTR model. In this paper, we propose FeatureBox, a novel end-to-end training framework that pipelines the feature extraction and the training on GPU servers to save the intermediate I/O of the feature extraction. We rewrite computation-intensive feature extraction operators as GPU operators and leave the memory-intensive operator on CPUs. We introduce a layer-wise operator scheduling algorithm to schedule these heterogeneous operators. We present a light-weight GPU memory management algorithm that supports dynamic GPU memory allocation with minimal overhead. We experimentally evaluate FeatureBox and compare it with the previous in-production feature extraction framework on two real-world ads applications. The results confirm the effectiveness of our proposed method.

Online stores and service providers rely heavily on recommendation softwares to guide users through the vast amount of available products. Consequently, the field of recommender systems has attracted increased attention from the industry and academia alike, but despite this joint effort, the field still faces several challenges. For instance, most existing work models the recommendation problem as a matrix completion problem to predict the user preference for an item. This abstraction prevents the system from utilizing the rich information from the ordered sequence of user actions logged in online sessions. To address this limitation, researchers have recently developed a promising new breed of algorithms called sequence-aware recommender systems to predict the user's next action by utilizing the time series composed of the sequence of actions in an ongoing user session. This paper proposes a novel sequence-aware recommendation approach based on a complex network generated by the hidden metric space model, which combines node similarity and popularity to generate links. We build a network model from data and then use it to predict the user's subsequent actions. The network model provides an additional source of information that improves the accuracy of the recommendations. The proposed method is implemented and tested experimentally on a large dataset. The results prove that the proposed approach performs better than state-of-the-art recommendation methods.

Industrial defect detection is commonly addressed with anomaly detection (AD) methods where no or only incomplete data of potentially occurring defects is available. This work discovers previously unknown problems of student-teacher approaches for AD and proposes a solution, where two neural networks are trained to produce the same output for the defect-free training examples. The core assumption of student-teacher networks is that the distance between the outputs of both networks is larger for anomalies since they are absent in training. However, previous methods suffer from the similarity of student and teacher architecture, such that the distance is undesirably small for anomalies. For this reason, we propose asymmetric student-teacher networks (AST). We train a normalizing flow for density estimation as a teacher and a conventional feed-forward network as a student to trigger large distances for anomalies: The bijectivity of the normalizing flow enforces a divergence of teacher outputs for anomalies compared to normal data. Outside the training distribution the student cannot imitate this divergence due to its fundamentally different architecture. Our AST network compensates for wrongly estimated likelihoods by a normalizing flow, which was alternatively used for anomaly detection in previous work. We show that our method produces state-of-the-art results on the two currently most relevant defect detection datasets MVTec AD and MVTec 3D-AD regarding image-level anomaly detection on RGB and 3D data.

It is well-known that modern neural networks are vulnerable to adversarial examples. To mitigate this problem, a series of robust learning algorithms have been proposed. However, although the robust training error can be near zero via some methods, all existing algorithms lead to a high robust generalization error. In this paper, we provide a theoretical understanding of this puzzling phenomenon from the perspective of expressive power for deep neural networks. Specifically, for binary classification problems with well-separated data, we show that, for ReLU networks, while mild over-parameterization is sufficient for high robust training accuracy, there exists a constant robust generalization gap unless the size of the neural network is exponential in the data dimension $d$. This result holds even if the data is linear separable (which means achieving standard generalization is easy), and more generally for any parameterized function classes as long as their VC dimension is at most polynomial in the number of parameters. Moreover, we establish an improved upper bound of $\exp({\mathcal{O}}(k))$ for the network size to achieve low robust generalization error when the data lies on a manifold with intrinsic dimension $k$ ($k \ll d$). Nonetheless, we also have a lower bound that grows exponentially with respect to $k$ -- the curse of dimensionality is inevitable. By demonstrating an exponential separation between the network size for achieving low robust training and generalization error, our results reveal that the hardness of robust generalization may stem from the expressive power of practical models.

Distributed optimization has become one of the standard ways of speeding up machine learning training, and most of the research in the area focuses on distributed first-order, gradient-based methods. Yet, there are settings where some computationally-bounded nodes may not be able to implement first-order, gradient-based optimization, while they could still contribute to joint optimization tasks. In this paper, we initiate the study of hybrid decentralized optimization, studying settings where nodes with zeroth-order and first-order optimization capabilities co-exist in a distributed system, and attempt to jointly solve an optimization task over some data distribution. We essentially show that, under reasonable parameter settings, such a system can not only withstand noisier zeroth-order agents but can even benefit from integrating such agents into the optimization process, rather than ignoring their information. At the core of our approach is a new analysis of distributed optimization with noisy and possibly-biased gradient estimators, which may be of independent interest. Experimental results on standard optimization tasks confirm our analysis, showing that hybrid first-zeroth order optimization can be practical.

We propose self-adaptive training -- a unified training algorithm that dynamically calibrates and enhances training processes by model predictions without incurring an extra computational cost -- to advance both supervised and self-supervised learning of deep neural networks. We analyze the training dynamics of deep networks on training data that are corrupted by, e.g., random noise and adversarial examples. Our analysis shows that model predictions are able to magnify useful underlying information in data and this phenomenon occurs broadly even in the absence of any label information, highlighting that model predictions could substantially benefit the training processes: self-adaptive training improves the generalization of deep networks under noise and enhances the self-supervised representation learning. The analysis also sheds light on understanding deep learning, e.g., a potential explanation of the recently-discovered double-descent phenomenon in empirical risk minimization and the collapsing issue of the state-of-the-art self-supervised learning algorithms. Experiments on the CIFAR, STL, and ImageNet datasets verify the effectiveness of our approach in three applications: classification with label noise, selective classification, and linear evaluation. To facilitate future research, the code has been made publicly available at https://github.com/LayneH/self-adaptive-training.

Graph Convolutional Networks (GCNs) and their variants have achieved significant performances on various recommendation tasks. However, many existing GCN models tend to perform recursive aggregations among all related nodes, which can arise severe computational burden to hinder their application to large-scale recommendation tasks. To this end, this paper proposes the flattened GCN~(FlatGCN) model, which is able to achieve superior performance with remarkably less complexity compared with existing models. Our main contribution is three-fold. First, we propose a simplified but powerful GCN architecture which aggregates the neighborhood information using one flattened GCN layer, instead of recursively. The aggregation step in FlatGCN is parameter-free such that it can be pre-computed with parallel computation to save memory and computational cost. Second, we propose an informative neighbor-infomax sampling method to select the most valuable neighbors by measuring the correlation among neighboring nodes based on a principled metric. Third, we propose a layer ensemble technique which improves the expressiveness of the learned representations by assembling the layer-wise neighborhood representations at the final layer. Extensive experiments on three datasets verify that our proposed model outperforms existing GCN models considerably and yields up to a few orders of magnitude speedup in training efficiency.

Deploying models on target domain data subject to distribution shift requires adaptation. Test-time training (TTT) emerges as a solution to this adaptation under a realistic scenario where access to full source domain data is not available and instant inference on target domain is required. Despite many efforts into TTT, there is a confusion over the experimental settings, thus leading to unfair comparisons. In this work, we first revisit TTT assumptions and categorize TTT protocols by two key factors. Among the multiple protocols, we adopt a realistic sequential test-time training (sTTT) protocol, under which we further develop a test-time anchored clustering (TTAC) approach to enable stronger test-time feature learning. TTAC discovers clusters in both source and target domain and match the target clusters to the source ones to improve generalization. Pseudo label filtering and iterative updating are developed to improve the effectiveness and efficiency of anchored clustering. We demonstrate that under all TTT protocols TTAC consistently outperforms the state-of-the-art methods on six TTT datasets. We hope this work will provide a fair benchmarking of TTT methods and future research should be compared within respective protocols. A demo code is available at https://github.com/Gorilla-Lab-SCUT/TTAC.

Dysgraphia, a handwriting learning disability, has a serious negative impact on children's academic results, daily life and overall wellbeing. Early detection of dysgraphia allows for an early start of a targeted intervention. Several studies have investigated dysgraphia detection by machine learning algorithms using a digital tablet. However, these studies deployed classical machine learning algorithms with manual feature extraction and selection as well as binary classification: either dysgraphia or no dysgraphia. In this work, we investigated fine grading of handwriting capabilities by predicting SEMS score (between 0 and 12) with deep learning. Our approach provide accuracy more than 99% and root mean square error lower than one, with automatic instead of manual feature extraction and selection. Furthermore, we used smart pen called SensoGrip, a pen equipped with sensors to capture handwriting dynamics, instead of a tablet, enabling writing evaluation in more realistic scenarios.

Federated Learning (FL) is a scheme for collaboratively training Deep Neural Networks (DNNs) with multiple data sources from different clients. Instead of sharing the data, each client trains the model locally, resulting in improved privacy. However, recently so-called targeted poisoning attacks have been proposed that allow individual clients to inject a backdoor into the trained model. Existing defenses against these backdoor attacks either rely on techniques like Differential Privacy to mitigate the backdoor, or analyze the weights of the individual models and apply outlier detection methods that restricts these defenses to certain data distributions. However, adding noise to the models' parameters or excluding benign outliers might also reduce the accuracy of the collaboratively trained model. Additionally, allowing the server to inspect the clients' models creates a privacy risk due to existing knowledge extraction methods. We propose \textit{CrowdGuard}, a model filtering defense, that mitigates backdoor attacks by leveraging the clients' data to analyze the individual models before the aggregation. To prevent data leaks, the server sends the individual models to secure enclaves, running in client-located Trusted Execution Environments. To effectively distinguish benign and poisoned models, even if the data of different clients are not independently and identically distributed (non-IID), we introduce a novel metric called \textit{HLBIM} to analyze the outputs of the DNN's hidden layers. We show that the applied significance-based detection algorithm combined can effectively detect poisoned models, even in non-IID scenarios.

In this paper, we interpret disentanglement from the manifold perspective and trace how it naturally leads to a necessary and sufficient condition for disentanglement: the disentangled factors must commute with each other. Along the way, we show how some technical results have consequences for the compression and disentanglement of generative models, and we also discuss the practical and theoretical implications of commutativity. Finally, we conclude with a discussion of related approaches to disentanglement and how they relate to our view of disentanglement from the manifold perspective.

Various privacy-preserving frameworks that respect the individual's privacy in the analysis of data have been developed in recent years. However, available model classes such as simple statistics or generalized linear models lack the flexibility required for a good approximation of the underlying data-generating process in practice. In this paper, we propose an algorithm for a distributed, privacy-preserving, and lossless estimation of generalized additive mixed models (GAMM) using component-wise gradient boosting (CWB). Making use of CWB allows us to reframe the GAMM estimation as a distributed fitting of base learners using the $L_2$-loss. In order to account for the heterogeneity of different data location sites, we propose a distributed version of a row-wise tensor product that allows the computation of site-specific (smooth) effects. Our adaption of CWB preserves all the important properties of the original algorithm, such as an unbiased feature selection and the feasibility to fit models in high-dimensional feature spaces, and yields equivalent model estimates as CWB on pooled data. Next to a derivation of the equivalence of both algorithms, we also showcase the efficacy of our algorithm on a distributed heart disease data set and compare it with state-of-the-art methods.

We present a system for anomaly detection in histopathological images. In histology, normal samples are usually abundant, whereas anomalous (pathological) cases are scarce or not available. Under such settings, one-class classifiers trained on healthy data can detect out-of-distribution anomalous samples. Such approaches combined with pre-trained Convolutional Neural Network (CNN) representations of images were previously employed for anomaly detection (AD). However, pre-trained off-the-shelf CNN representations may not be sensitive to abnormal conditions in tissues, while natural variations of healthy tissue may result in distant representations. To adapt representations to relevant details in healthy tissue we propose training a CNN on an auxiliary task that discriminates healthy tissue of different species, organs, and staining reagents. Almost no additional labeling workload is required, since healthy samples come automatically with aforementioned labels. During training we enforce compact image representations with a center-loss term, which further improves representations for AD. The proposed system outperforms established AD methods on a published dataset of liver anomalies. Moreover, it provided comparable results to conventional methods specifically tailored for quantification of liver anomalies. We show that our approach can be used for toxicity assessment of candidate drugs at early development stages and thereby may reduce expensive late-stage drug attrition.

Recent neural methods for vehicle routing problems always train and test the deep models on the same instance distribution (i.e., uniform). To tackle the consequent cross-distribution generalization concerns, we bring the knowledge distillation to this field and propose an Adaptive Multi-Distribution Knowledge Distillation (AMDKD) scheme for learning more generalizable deep models. Particularly, our AMDKD leverages various knowledge from multiple teachers trained on exemplar distributions to yield a light-weight yet generalist student model. Meanwhile, we equip AMDKD with an adaptive strategy that allows the student to concentrate on difficult distributions, so as to absorb hard-to-master knowledge more effectively. Extensive experimental results show that, compared with the baseline neural methods, our AMDKD is able to achieve competitive results on both unseen in-distribution and out-of-distribution instances, which are either randomly synthesized or adopted from benchmark datasets (i.e., TSPLIB and CVRPLIB). Notably, our AMDKD is generic, and consumes less computational resources for inference.

With an increasing focus on data privacy, there have been pilot studies on recommender systems in a federated learning (FL) framework, where multiple parties collaboratively train a model without sharing their data. Most of these studies assume that the conventional FL framework can fully protect user privacy. However, there are serious privacy risks in matrix factorization in federated recommender systems based on our study. This paper first provides a rigorous theoretical analysis of the server reconstruction attack in four scenarios in federated recommender systems, followed by comprehensive experiments. The empirical results demonstrate that the FL server could infer users' information with accuracy >80% based on the uploaded gradients from FL nodes. The robustness analysis suggests that our reconstruction attack analysis outperforms the random guess by >30% under Laplace noises with b no larger than 0.5 for all scenarios. Then, the paper proposes a new privacy-preserving framework based on homomorphic encryption, Privacy-Preserving Multi-View Matrix Factorization (PrivMVMF), to enhance user data privacy protection in federated recommender systems. The proposed PrivMVMF is successfully implemented and tested thoroughly with the MovieLens dataset.

Fuels with high-knock resistance enable modern spark-ignition engines to achieve high efficiency and thus low CO2 emissions. Identification of molecules with desired autoignition properties indicated by a high research octane number and a high octane sensitivity is therefore of great practical relevance and can be supported by computer-aided molecular design (CAMD). Recent developments in the field of graph machine learning (graph-ML) provide novel, promising tools for CAMD. We propose a modular graph-ML CAMD framework that integrates generative graph-ML models with graph neural networks and optimization, enabling the design of molecules with desired ignition properties in a continuous molecular space. In particular, we explore the potential of Bayesian optimization and genetic algorithms in combination with generative graph-ML models. The graph-ML CAMD framework successfully identifies well-established high-octane components. It also suggests new candidates, one of which we experimentally investigate and use to illustrate the need for further auto-ignition training data.

The quality of many modern machine learning models improves as model complexity increases, an effect that has been quantified, for predictive performance, with the non-monotonic double descent learning curve. Here, we address the overarching question: is there an analogous theory of double descent for models which estimate uncertainty? We provide a partially affirmative and partially negative answer in the setting of Gaussian processes (GP). Under standard assumptions, we prove that higher model quality for optimally-tuned GPs (including uncertainty prediction) under marginal likelihood is realized for larger input dimensions, and therefore exhibits a monotone error curve. After showing that marginal likelihood does not naturally exhibit double descent in the input dimension, we highlight related forms of posterior predictive loss that do exhibit non-monotonicity. Finally, we verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.

Deep learning (DL) models find increasing application in mental state decoding, where researchers seek to understand the mapping between mental states (e.g., perceiving fear or joy) and brain activity by identifying those brain regions (and networks) whose activity allows to accurately identify (i.e., decode) these states. Once a DL model has been trained to accurately decode a set of mental states, neuroimaging researchers often make use of interpretation methods from explainable artificial intelligence research to understand the model's learned mappings between mental states and brain activity. Here, we compare the explanation performance of prominent interpretation methods in a mental state decoding analysis of three functional Magnetic Resonance Imaging (fMRI) datasets. Our findings demonstrate a gradient between two key characteristics of an explanation in mental state decoding, namely, its biological plausibility and faithfulness: interpretation methods with high explanation faithfulness, which capture the model's decision process well, generally provide explanations that are biologically less plausible than the explanations of interpretation methods with less explanation faithfulness. Based on this finding, we provide specific recommendations for the application of interpretation methods in mental state decoding.

Designing feasible and effective architectures under diverse computational budgets, incurred by different applications/devices, is essential for deploying deep models in real-world applications. To achieve this goal, existing methods often perform an independent architecture search process for each target budget, which is very inefficient yet unnecessary. More critically, these independent search processes cannot share their learned knowledge (i.e., the distribution of good architectures) with each other and thus often result in limited search results. To address these issues, we propose a Pareto-aware Neural Architecture Generator (PNAG) which only needs to be trained once and dynamically produces the Pareto optimal architecture for any given budget via inference. To train our PNAG, we learn the whole Pareto frontier by jointly finding multiple Pareto optimal architectures under diverse budgets. Such a joint search algorithm not only greatly reduces the overall search cost but also improves the search results. Extensive experiments on three hardware platforms (i.e., mobile device, CPU, and GPU) show the superiority of our method over existing methods.

There has been a flurry of research in recent years on notions of fairness in ranking and recommender systems, particularly on how to evaluate if a recommender allocates exposure equally across groups of relevant items (also known as provider fairness). While this research has laid an important foundation, it gave rise to different approaches depending on whether relevant items are compared per-user/per-query or aggregated across users. Despite both being established and intuitive, we discover that these two notions can lead to opposite conclusions, a form of Simpson's Paradox. We reconcile these notions and show that the tension is due to differences in distributions of users where items are relevant, and break down the important factors of the user's recommendations. Based on this new understanding, practitioners might be interested in either notions, but might face challenges with the per-user metric due to partial observability of the relevance and user satisfaction, typical in real-world recommenders. We describe a technique based on distribution matching to estimate it in such a scenario. We demonstrate on simulated and real-world recommender data the effectiveness and usefulness of such an approach.

We study best arm identification in a federated multi-armed bandit setting with a central server and multiple clients, when each client has access to a {\em subset} of arms and each arm yields independent Gaussian observations. The {\em reward} from an arm at any given time is defined as the average of the observations generated at this time across all the clients that have access to the arm. The end goal is to identify the best arm (the arm with the largest mean reward) of each client with the least expected stopping time, subject to an upper bound on the error probability (i.e., the {\em fixed-confidence regime}). We provide a lower bound on the growth rate of the expected time to find the best arm of each client. Furthermore, we show that for any algorithm whose upper bound on the expected time to find the best arms matches with the lower bound up to a multiplicative constant, the ratio of any two consecutive communication time instants must be bounded, a result that is of independent interest. We then provide the first-known lower bound on the expected number of {\em communication rounds} required to find the best arms. We propose a novel algorithm based on the well-known {\em Track-and-Stop} strategy that communicates only at exponential time instants, and derive asymptotic upper bounds on its expected time to find the best arms and the expected number of communication rounds, where the asymptotics is one of vanishing error probabilities.

Decentralized optimization is effective to save communication in large-scale machine learning. Although numerous algorithms have been proposed with theoretical guarantees and empirical successes, the performance limits in decentralized optimization, especially the influence of network topology and its associated weight matrix on the optimal convergence rate, have not been fully understood. While (Lu and Sa, 2021) have recently provided an optimal rate for non-convex stochastic decentralized optimization with weight matrices defined over linear graphs, the optimal rate with general weight matrices remains unclear. This paper revisits non-convex stochastic decentralized optimization and establishes an optimal convergence rate with general weight matrices. In addition, we also establish the optimal rate when non-convex loss functions further satisfy the Polyak-Lojasiewicz (PL) condition. Following existing lines of analysis in literature cannot achieve these results. Instead, we leverage the Ring-Lattice graph to admit general weight matrices while maintaining the optimal relation between the graph diameter and weight matrix connectivity. Lastly, we develop a new decentralized algorithm to nearly attain the above two optimal rates under additional mild conditions.

Multi-agent reinforcement learning has drawn increasing attention in practice, e.g., robotics and automatic driving, as it can explore optimal policies using samples generated by interacting with the environment. However, high reward uncertainty still remains a problem when we want to train a satisfactory model, because obtaining high-quality reward feedback is usually expensive and even infeasible. To handle this issue, previous methods mainly focus on passive reward correction. At the same time, recent active reward estimation methods have proven to be a recipe for reducing the effect of reward uncertainty. In this paper, we propose a novel Distributional Reward Estimation framework for effective Multi-Agent Reinforcement Learning (DRE-MARL). Our main idea is to design the multi-action-branch reward estimation and policy-weighted reward aggregation for stabilized training. Specifically, we design the multi-action-branch reward estimation to model reward distributions on all action branches. Then we utilize reward aggregation to obtain stable updating signals during training. Our intuition is that consideration of all possible consequences of actions could be useful for learning policies. The superiority of the DRE-MARL is demonstrated using benchmark multi-agent scenarios, compared with the SOTA baselines in terms of both effectiveness and robustness.

Graph attention networks (GATs) are powerful tools for analyzing graph data from various real-world scenarios. To learn representations for downstream tasks, GATs generally attend to all neighbors of the central node when aggregating the features. In this paper, we show that a large portion of the neighbors are irrelevant to the central nodes in many real-world graphs, and can be excluded from neighbor aggregation. Taking the cue, we present Selective Attention (SA) and a series of novel attention mechanisms for graph neural networks (GNNs). SA leverages diverse forms of learnable node-node dissimilarity to acquire the scope of attention for each node, from which irrelevant neighbors are excluded. We further propose Graph selective attention networks (SATs) to learn representations from the highly correlated node features identified and investigated by different SA mechanisms. Lastly, theoretical analysis on the expressive power of the proposed SATs and a comprehensive empirical study of the SATs on challenging real-world datasets against state-of-the-art GNNs are presented to demonstrate the effectiveness of SATs.

Training long-horizon robotic policies in complex physical environments is essential for many applications, such as robotic manipulation. However, learning a policy that can generalize to unseen tasks is challenging. In this work, we propose to achieve one-shot task generalization by decoupling plan generation and plan execution. Specifically, our method solves complex long-horizon tasks in three steps: build a paired abstract environment by simplifying geometry and physics, generate abstract trajectories, and solve the original task by an abstract-to-executable trajectory translator. In the abstract environment, complex dynamics such as physical manipulation are removed, making abstract trajectories easier to generate. However, this introduces a large domain gap between abstract trajectories and the actual executed trajectories as abstract trajectories lack low-level details and are not aligned frame-to-frame with the executed trajectory. In a manner reminiscent of language translation, our approach leverages a seq-to-seq model to overcome the large domain gap between the abstract and executable trajectories, enabling the low-level policy to follow the abstract trajectory. Experimental results on various unseen long-horizon tasks with different robot embodiments demonstrate the practicability of our methods to achieve one-shot task generalization.

Domain generalization (DG) enables generalizing a learning machine from multiple seen source domains to an unseen target one. The general objective of DG methods is to learn semantic representations that are independent of domain labels, which is theoretically sound but empirically challenged due to the complex mixture of common and domain-specific factors. Although disentangling the representations into two disjoint parts has been gaining momentum in DG, the strong presumption over the data limits its efficacy in many real-world scenarios. In this paper, we propose Mix and Reason (\mire), a new DG framework that learns semantic representations via enforcing the structural invariance of semantic topology. \mire\ consists of two key components, namely, Category-aware Data Mixing (CDM) and Adaptive Semantic Topology Refinement (ASTR). CDM mixes two images from different domains in virtue of activation maps generated by two complementary classification losses, making the classifier focus on the representations of semantic objects. ASTR introduces relation graphs to represent semantic topology, which is progressively refined via the interactions between local feature aggregation and global cross-domain relational reasoning. Experiments on multiple DG benchmarks validate the effectiveness and robustness of the proposed \mire.

Although deep generative models have gained a lot of attention, most of the existing works are designed for unimodal generation. In this paper, we explore a new method for unconditional image-text pair generation. We design Multimodal Cross-Quantization VAE (MXQ-VAE), a novel vector quantizer for joint image-text representations, with which we discover that a joint image-text representation space is effective for semantically consistent image-text pair generation. To learn a multimodal semantic correlation in a quantized space, we combine VQ-VAE with a Transformer encoder and apply an input masking strategy. Specifically, MXQ-VAE accepts a masked image-text pair as input and learns a quantized joint representation space, so that the input can be converted to a unified code sequence, then we perform unconditional image-text pair generation with the code sequence. Extensive experiments show the correlation between the quantized joint space and the multimodal generation capability on synthetic and real-world datasets. In addition, we demonstrate the superiority of our approach in these two aspects over several baselines. The source code is publicly available at: https://github.com/ttumyche/MXQ-VAE.

Affective computing strives to unveil the unknown relationship between affect elicitation, manifestation of affect and affect annotations. The ground truth of affect, however, is predominately attributed to the affect labels which inadvertently include biases inherent to the subjective nature of emotion and its labeling. The response to such limitations is usually augmenting the dataset with more annotations per data point; however, this is not possible when we are interested in self-reports via first-person annotation. Moreover, outlier detection methods based on inter-annotator agreement only consider the annotations themselves and ignore the context and the corresponding affect manifestation. This paper reframes the ways one may obtain a reliable ground truth of affect by transferring aspects of causation theory to affective computing. In particular, we assume that the ground truth of affect can be found in the causal relationships between elicitation, manifestation and annotation that remain \emph{invariant} across tasks and participants. To test our assumption we employ causation inspired methods for detecting outliers in affective corpora and building affect models that are robust across participants and tasks. We validate our methodology within the domain of digital games, with experimental results showing that it can successfully detect outliers and boost the accuracy of affect models. To the best of our knowledge, this study presents the first attempt to integrate causation tools in affective computing, making a crucial and decisive step towards general affect modeling.

Deep Learning-based 2D/3D registration enables fast, robust, and accurate X-ray to CT image fusion when large annotated paired datasets are available for training. However, the need for paired CT volume and X-ray images with ground truth registration limits the applicability in interventional scenarios. An alternative is to use simulated X-ray projections from CT volumes, thus removing the need for paired annotated datasets. Deep Neural Networks trained exclusively on simulated X-ray projections can perform significantly worse on real X-ray images due to the domain gap. We propose a self-supervised 2D/3D registration framework combining simulated training with unsupervised feature and pixel space domain adaptation to overcome the domain gap and eliminate the need for paired annotated datasets. Our framework achieves a registration accuracy of 1.83$\pm$1.16 mm with a high success ratio of 90.1% on real X-ray images showing a 23.9% increase in success ratio compared to reference annotation-free algorithms.

Providing densely shaped reward functions for RL algorithms is often exceedingly challenging, motivating the development of RL algorithms that can learn from easier-to-specify sparse reward functions. This sparsity poses new exploration challenges. One common way to address this problem is using demonstrations to provide initial signal about regions of the state space with high rewards. However, prior RL from demonstrations algorithms introduce significant complexity and many hyperparameters, making them hard to implement and tune. We introduce Monte Carlo Augmented Actor Critic (MCAC), a parameter free modification to standard actor-critic algorithms which initializes the replay buffer with demonstrations and computes a modified $Q$-value by taking the maximum of the standard temporal distance (TD) target and a Monte Carlo estimate of the reward-to-go. This encourages exploration in the neighborhood of high-performing trajectories by encouraging high $Q$-values in corresponding regions of the state space. Experiments across $5$ continuous control domains suggest that MCAC can be used to significantly increase learning efficiency across $6$ commonly used RL and RL-from-demonstrations algorithms. See https://sites.google.com/view/mcac-rl for code and supplementary material.

Offline reinforcement learning (RL) aims at learning an effective policy from offline datasets without active interactions with the environment. The major challenge of offline RL is the distribution shift that appears when out-of-distribution actions are queried, which makes the policy improvement direction biased by extrapolation errors. Most existing methods address this problem by penalizing the policy for deviating from the behavior policy during policy improvement or making conservative updates for value functions during policy evaluation. In this work, we propose a novel MISA framework to approach offline RL from the perspective of Mutual Information between States and Actions in the dataset by directly constraining the policy improvement direction. Intuitively, mutual information measures the mutual dependence of actions and states, which reflects how a behavior agent reacts to certain environment states during data collection. To effectively utilize this information to facilitate policy learning, MISA constructs lower bounds of mutual information parameterized by the policy and Q-values. We show that optimizing this lower bound is equivalent to maximizing the likelihood of a one-step improved policy on the offline dataset. In this way, we constrain the policy improvement direction to lie in the data manifold. The resulting algorithm simultaneously augments the policy evaluation and improvement by adding a mutual information regularization. MISA is a general offline RL framework that unifies conservative Q-learning (CQL) and behavior regularization methods (e.g., TD3+BC) as special cases. Our experiments show that MISA performs significantly better than existing methods and achieves new state-of-the-art on various tasks of the D4RL benchmark.

In this paper, we describe a conceptual design methodology to design distributed neural network architectures that can perform efficient inference within sensor networks with communication bandwidth constraints. The different sensor channels are distributed across multiple sensor devices, which have to exchange data over bandwidth-limited communication channels to solve, e.g., a classification task. Our design methodology starts from a user-defined centralized neural network and transforms it into a distributed architecture in which the channels are distributed over different nodes. The distributed network consists of two parallel branches of which the outputs are fused at the fusion center. The first branch collects classification results from local, node-specific classifiers while the second branch compresses each node's signal and then reconstructs the multi-channel time series for classification at the fusion center. We further improve bandwidth gains by dynamically activating the compression path when the local classifications do not suffice. We validate this method on a motor execution task in an emulated EEG sensor network and analyze the resulting bandwidth-accuracy trade-offs. Our experiments show that the proposed framework enables up to a factor 20 in bandwidth reduction with minimal loss (up to 2%) in classification accuracy compared to the centralized baseline on the demonstrated motor execution task. The proposed method offers a way to smoothly transform a centralized architecture to a distributed, bandwidth-efficient network amenable for low-power sensor networks. While the application focus of this paper is on wearable brain-computer interfaces, the proposed methodology can be applied in other sensor network-like applications as well.

There are two paradigms of emotion representation, categorical labeling and dimensional description in continuous space. Therefore, the emotion recognition task can be treated as a classification or regression. The main aim of this study is to investigate the relation between these two representations and propose a classification pipeline that uses only dimensional annotation. The proposed approach contains a regressor model which is trained to predict a vector of continuous values in dimensional representation for given speech audio. The output of this model can be interpreted as an emotional category using a mapping algorithm. We investigated the performances of a combination of three feature extractors, three neural network architectures, and three mapping algorithms on two different corpora. Our study shows the advantages and limitations of the classification via regression approach.

We provide the first complete continuous time framework for denoising diffusion models of discrete data. This is achieved by formulating the forward noising process and corresponding reverse time generative process as Continuous Time Markov Chains (CTMCs). The model can be efficiently trained using a continuous time version of the ELBO. We simulate the high dimensional CTMC using techniques developed in chemical physics and exploit our continuous time framework to derive high performance samplers that we show can outperform discrete time methods for discrete data. The continuous time treatment also enables us to derive a novel theoretical result bounding the error between the generated sample distribution and the true data distribution.

Human mobility prediction is a fundamental task essential for various applications, including urban planning, transportation services, and location recommendation. Existing approaches often ignore activity information crucial for reasoning human preferences and routines, or adopt a simplified representation of the dependencies between time, activities and locations. To address these issues, we present Hierarchical Graph Attention Recurrent Network (HGARN) for human mobility prediction. Specifically, we construct a hierarchical graph based on all users' history mobility records and employ a Hierarchical Graph Attention Module to capture complex time-activity-location dependencies. This way, HGARN can learn representations with rich contextual semantics to model user preferences at the global level. We also propose a model-agnostic history-enhanced confidence (MaHec) label to focus our model on each user's individual-level preferences. Finally, we introduce a Recurrent Encoder-Decoder Module, which employs recurrent structures to jointly predict users' next activities (as an auxiliary task) and locations. For model evaluation, we test the performances of our Hgarn against existing SOTAs in recurring and explorative settings. The recurring setting focuses more on assessing models' capabilities to capture users' individual-level preferences. In contrast, the results in the explorative setting tend to reflect the power of different models to learn users' global-level preferences. Overall, our model outperforms other baselines significantly in the main, recurring, and explorative settings based on two real-world human mobility data benchmarks. Source codes of HGARN are available at https://github.com/YihongT/HGARN.

Many data-mining applications use dynamic attributed graphs to represent relational information; but due to security and privacy concerns, there is a dearth of available datasets that can be represented as dynamic attributed graphs. Even when such datasets are available, they do not have ground truth that can be used to train deep-learning models. Thus, we present G2A2, an automated graph generator with attributes and anomalies, which encompasses (1) probabilistic models to generate a dynamic bipartite graph, representing time-evolving connections between two independent sets of entities, (2) realistic injection of anomalies using a novel algorithm that captures the general properties of graph anomalies across domains, and (3) a deep generative model to produce realistic attributes, learned from an existing real-world dataset. Using the maximum mean discrepancy (MMD) metric to evaluate the realism of a G2A2-generated graph against three real-world graphs, G2A2 outperforms Kronecker graph generation by reducing the MMD distance by up to six-fold (6x).

A graph $H$ is a clique graph if $H$ is a vertex-disjoin union of cliques. Abu-Khzam (2017) introduced the $(a,d)$-{Cluster Editing} problem, where for fixed natural numbers $a,d$, given a graph $G$ and vertex-weights $a^*:\ V(G)\rightarrow \{0,1,\dots, a\}$ and $d^*{}:\ V(G)\rightarrow \{0,1,\dots, d\}$, we are to decide whether $G$ can be turned into a cluster graph by deleting at most $d^*(v)$ edges incident to every $v\in V(G)$ and adding at most $a^*(v)$ edges incident to every $v\in V(G)$. Results by Komusiewicz and Uhlmann (2012) and Abu-Khzam (2017) provided a dichotomy of complexity (in P or NP-complete) of $(a,d)$-{Cluster Editing} for all pairs $a,d$ apart from $a=d=1.$ Abu-Khzam (2017) conjectured that $(1,1)$-{Cluster Editing} is in P. We resolve Abu-Khzam's conjecture in affirmative by (i) providing a serious of five polynomial-time reductions to $C_3$-free and $C_4$-free graphs of maximum degree at most 3, and (ii) designing a polynomial-time algorithm for solving $(1,1)$-{Cluster Editing} on $C_3$-free and $C_4$-free graphs of maximum degree at most 3.

Safe reinforcement learning (RL) that solves constraint-satisfactory policies provides a promising way to the broader safety-critical applications of RL in real-world problems such as robotics. Among all safe RL approaches, model-based methods reduce training time violations further due to their high sample efficiency. However, lacking safety robustness against the model uncertainties remains an issue in safe model-based RL, especially in training time safety. In this paper, we propose a distributional reachability certificate (DRC) and its Bellman equation to address model uncertainties and characterize robust persistently safe states. Furthermore, we build a safe RL framework to resolve constraints required by the DRC and its corresponding shield policy. We also devise a line search method to maintain safety and reach higher returns simultaneously while leveraging the shield policy. Comprehensive experiments on classical benchmarks such as constrained tracking and navigation indicate that the proposed algorithm achieves comparable returns with much fewer constraint violations during training.

Unsupervised mixture learning (UML) aims at identifying linearly or nonlinearly mixed latent components in a blind manner. UML is known to be challenging: Even learning linear mixtures requires highly nontrivial analytical tools, e.g., independent component analysis or nonnegative matrix factorization. In this work, the post-nonlinear (PNL) mixture model -- where unknown element-wise nonlinear functions are imposed onto a linear mixture -- is revisited. The PNL model is widely employed in different fields ranging from brain signal classification, speech separation, remote sensing, to causal discovery. To identify and remove the unknown nonlinear functions, existing works often assume different properties on the latent components (e.g., statistical independence or probability-simplex structures). This work shows that under a carefully designed UML criterion, the existence of a nontrivial null space associated with the underlying mixing system suffices to guarantee identification/removal of the unknown nonlinearity. Compared to prior works, our finding largely relaxes the conditions of attaining PNL identifiability, and thus may benefit applications where no strong structural information on the latent components is known. A finite-sample analysis is offered to characterize the performance of the proposed approach under realistic settings. To implement the proposed learning criterion, a block coordinate descent algorithm is proposed. A series of numerical experiments corroborate our theoretical claims.

Transformer has achieved remarkable success in language, image, and speech processing. Recently, various efficient attention architectures have been proposed to improve transformer's efficiency while largely preserving its efficacy, especially in modeling long sequences. A widely-used benchmark to test these efficient methods' capability on long-range modeling is Long Range Arena (LRA). However, LRA only focuses on the standard bidirectional (or noncausal) self attention, and completely ignores cross attentions and unidirectional (or causal) attentions, which are equally important to downstream applications. Although designing cross and causal variants of an attention method is straightforward for vanilla attention, it is often challenging for efficient attentions with subquadratic time and memory complexity. In this paper, we propose Comprehensive Attention Benchmark (CAB) under a fine-grained attention taxonomy with four distinguishable attention patterns, namely, noncausal self, causal self, noncausal cross, and causal cross attentions. CAB collects seven real-world tasks from different research areas to evaluate efficient attentions under the four attention patterns. Among these tasks, CAB validates efficient attentions in eight backbone networks to show their generalization across neural architectures. We conduct exhaustive experiments to benchmark the performances of nine widely-used efficient attention architectures designed with different philosophies on CAB. Extensive experimental results also shed light on the fundamental problems of efficient attentions, such as efficiency length against vanilla attention, performance consistency across attention patterns, the benefit of attention mechanisms, and interpolation/extrapolation on long-context language modeling.

The issue of image haze removal has attracted wide attention in recent years. However, most existing haze removal methods cannot restore the scene with clear blue sky, since the color and texture information of the object in the original haze image is insufficient. To remedy this, we propose a cycle generative adversarial network to construct a novel end-to-end image dehaze model. We adopt outdoor image datasets to train our model, which includes a set of real-world unpaired image dataset and a set of paired image dataset to ensure that the generated images are close to the real scene. Based on the cycle structure, our model adds four different kinds of loss function to constrain the effect including adversarial loss, cycle consistency loss, photorealism loss and paired L1 loss. These four constraints can improve the overall quality of such degraded images for better visual appeal and ensure reconstruction of images to keep from distortion. The proposed model could remove the haze of images and also restore the sky of images to be clean and blue (like captured in a sunny weather).

Increased use of sensor signals from wearable devices as rich sources of physiological data has sparked growing interest in developing health monitoring systems to identify changes in an individual's health profile. Indeed, machine learning models for sensor signals have enabled a diverse range of healthcare related applications including early detection of abnormalities, fertility tracking, and adverse drug effect prediction. However, these models can fail to account for the dependent high-dimensional nature of the underlying sensor signals. In this paper, we introduce Latent Temporal Flows, a method for multivariate time-series modeling tailored to this setting. We assume that a set of sequences is generated from a multivariate probabilistic model of an unobserved time-varying low-dimensional latent vector. Latent Temporal Flows simultaneously recovers a transformation of the observed sequences into lower-dimensional latent representations via deep autoencoder mappings, and estimates a temporally-conditioned probabilistic model via normalizing flows. Using data from the Apple Heart and Movement Study (AH&MS), we illustrate promising forecasting performance on these challenging signals. Additionally, by analyzing two and three dimensional representations learned by our model, we show that we can identify participants' $\text{VO}_2\text{max}$, a main indicator and summary of cardio-respiratory fitness, using only lower-level signals. Finally, we show that the proposed method consistently outperforms the state-of-the-art in multi-step forecasting benchmarks (achieving at least a $10\%$ performance improvement) on several real-world datasets, while enjoying increased computational efficiency.

We study the computational complexity of the optimal transport problem that evaluates the Wasserstein distance between the distributions of two K-dimensional discrete random vectors. The best known algorithms for this problem run in polynomial time in the maximum of the number of atoms of the two distributions. However, if the components of either random vector are independent, then this number can be exponential in K even though the size of the problem description scales linearly with K. We prove that the described optimal transport problem is #P-hard even if all components of the first random vector are independent uniform Bernoulli random variables, while the second random vector has merely two atoms, and even if only approximate solutions are sought. We also develop a dynamic programming-type algorithm that approximates the Wasserstein distance in pseudo-polynomial time when the components of the first random vector follow arbitrary independent discrete distributions, and we identify special problem instances that can be solved exactly in strongly polynomial time.

Recent years have witnessed the rise of misinformation campaigns that spread specific narratives on social media to manipulate public opinions on different areas, such as politics and healthcare. Consequently, an effective and efficient automatic methodology to estimate the influence of the misinformation on user beliefs and activities is needed. However, existing works on misinformation impact estimation either rely on small-scale psychological experiments or can only discover the correlation between user behaviour and misinformation. To address these issues, in this paper, we build up a causal framework that model the causal effect of misinformation from the perspective of temporal point process. To adapt the large-scale data, we design an efficient yet precise way to estimate the Individual Treatment Effect(ITE) via neural temporal point process and gaussian mixture models. Extensive experiments on synthetic dataset verify the effectiveness and efficiency of our model. We further apply our model on a real-world dataset of social media posts and engagements about COVID-19 vaccines. The experimental results indicate that our model recognized identifiable causal effect of misinformation that hurts people's subjective emotions toward the vaccines.

Cryo-electron microscopy (cryo-EM) is an imaging modality that provides unique insights into the dynamics of proteins and other building blocks of life. The algorithmic challenge of jointly estimating the poses, 3D structure, and conformational heterogeneity of a biomolecule from millions of noisy and randomly oriented 2D projections in a computationally efficient manner, however, remains unsolved. Our method, cryoFIRE, performs ab initio heterogeneous reconstruction with unknown poses in an amortized framework, thereby avoiding the computationally expensive step of pose search while enabling the analysis of conformational heterogeneity. Poses and conformation are jointly estimated by an encoder while a physics-based decoder aggregates the images into an implicit neural representation of the conformational space. We show that our method can provide one order of magnitude speedup on datasets containing millions of images without any loss of accuracy. We validate that the joint estimation of poses and conformations can be amortized over the size of the dataset. For the first time, we prove that an amortized method can extract interpretable dynamic information from experimental datasets.

One of the key challenges in federated learning (FL) is local data distribution heterogeneity across clients, which may cause inconsistent feature spaces across clients. To address this issue, we propose a novel method FedFM, which guides each client's features to match shared category-wise anchors (landmarks in feature space). This method attempts to mitigate the negative effects of data heterogeneity in FL by aligning each client's feature space. Besides, we tackle the challenge of varying objective function and provide convergence guarantee for FedFM. In FedFM, to mitigate the phenomenon of overlapping feature spaces across categories and enhance the effectiveness of feature matching, we further propose a more precise and effective feature matching loss called contrastive-guiding (CG), which guides each local feature to match with the corresponding anchor while keeping away from non-corresponding anchors. Additionally, to achieve higher efficiency and flexibility, we propose a FedFM variant, called FedFM-Lite, where clients communicate with server with fewer synchronization times and communication bandwidth costs. Through extensive experiments, we demonstrate that FedFM with CG outperforms several works by quantitative and qualitative comparisons. FedFM-Lite can achieve better performance than state-of-the-art methods with five to ten times less communication costs.

Influence function, a method from robust statistics, measures the changes of model parameters or some functions about model parameters concerning the removal or modification of training instances. It is an efficient and useful post-hoc method for studying the interpretability of machine learning models without the need for expensive model re-training. Recently, graph convolution networks (GCNs), which operate on graph data, have attracted a great deal of attention. However, there is no preceding research on the influence functions of GCNs to shed light on the effects of removing training nodes/edges from an input graph. Since the nodes/edges in a graph are interdependent in GCNs, it is challenging to derive influence functions for GCNs. To fill this gap, we started with the simple graph convolution (SGC) model that operates on an attributed graph and formulated an influence function to approximate the changes in model parameters when a node or an edge is removed from an attributed graph. Moreover, we theoretically analyzed the error bound of the estimated influence of removing an edge. We experimentally validated the accuracy and effectiveness of our influence estimation function. In addition, we showed that the influence function of an SGC model could be used to estimate the impact of removing training nodes/edges on the test performance of the SGC without re-training the model. Finally, we demonstrated how to use influence functions to guide the adversarial attacks on GCNs effectively.

Entity Linking (EL) is the gateway into Knowledge Bases. Recent advances in EL utilize dense retrieval approaches for Candidate Generation, which addresses some of the shortcomings of the Lookup based approach of matching NER mentions against pre-computed dictionaries. In this work, we show that in the domain of Tweets, such methods suffer as users often include informal spelling, limited context, and lack of specificity, among other issues. We investigate these challenges on a large and recent Tweets benchmark for EL, empirically evaluate lookup and dense retrieval approaches, and demonstrate a hybrid solution using long contextual representation from Wikipedia is necessary to achieve considerable gains over previous work, achieving 0.93 recall.

Existing work on controlled text generation (CTG) assumes a control interface of categorical attributes. In this work, we propose a natural language (NL) interface, where we craft a PCFG to embed the control attributes into natural language commands, and propose variants of existing CTG models that take commands as input. In our experiments, we design tailored setups to test model's generalization abilities. We find our PCFG-based command generation approach is effective for handling unseen commands compared to fix-set templates; our proposed NL models can effectively generalize to unseen attributes, a new ability enabled by the NL interface, as well as unseen attribute combinations. Interestingly, we discover that the simple conditional generation approach, enhanced with our proposed NL interface, is a strong baseline in those challenging settings.

While unsupervised skill discovery has shown promise in autonomously acquiring behavioral primitives, there is still a large methodological disconnect between task-agnostic skill pretraining and downstream, task-aware finetuning. We present Intrinsic Reward Matching (IRM), which unifies these two phases of learning via the $\textit{skill discriminator}$, a pretraining model component often discarded during finetuning. Conventional approaches finetune pretrained agents directly at the policy level, often relying on expensive environment rollouts to empirically determine the optimal skill. However, often the most concise yet complete description of a task is the reward function itself, and skill learning methods learn an $\textit{intrinsic}$ reward function via the discriminator that corresponds to the skill policy. We propose to leverage the skill discriminator to $\textit{match}$ the intrinsic and downstream task rewards and determine the optimal skill for an unseen task without environment samples, consequently finetuning with greater sample-efficiency. Furthermore, we generalize IRM to sequence skills and solve more complex, long-horizon tasks. We demonstrate that IRM is competitive with previous skill selection methods on the Unsupervised Reinforcement Learning Benchmark and enables us to utilize pretrained skills far more effectively on challenging tabletop manipulation tasks.

Recent work on Graph Neural Networks has demonstrated that self-supervised pretraining can further enhance performance on downstream graph, link, and node classification tasks. However, the efficacy of pretraining tasks has not been fully investigated for downstream large knowledge graph completion tasks. Using a contextualized knowledge graph embedding approach, we investigate five different pretraining signals, constructed using several graph algorithms and no external data, as well as their combination. We leverage the versatility of our Transformer-based model to explore graph structure generation pretraining tasks, typically inapplicable to most graph embedding methods. We further propose a new path-finding algorithm guided by information gain and find that it is the best-performing pretraining task across three downstream knowledge graph completion datasets. In a multitask setting that combines all pretraining tasks, our method surpasses some of the latest and strong performing knowledge graph embedding methods on all metrics for FB15K-237, on MRR and Hit@1 for WN18RR and on MRR and hit@10 for JF17K (a knowledge hypergraph dataset).

Machine learning techniques rely on large and diverse datasets for generalization. Computer vision, natural language processing, and other applications can often reuse public datasets to train many different models. However, due to differences in physical configurations, it is challenging to leverage public datasets for training robotic control policies on new robot platforms or for new tasks. In this work, we propose a novel framework, ExAug to augment the experiences of different robot platforms from multiple datasets in diverse environments. ExAug leverages a simple principle: by extracting 3D information in the form of a point cloud, we can create much more complex and structured augmentations, utilizing both generating synthetic images and geometric-aware penalization that would have been suitable in the same situation for a different robot, with different size, turning radius, and camera placement. The trained policy is evaluated on two new robot platforms with three different cameras in indoor and outdoor environments with obstacles.

A grand goal in deep learning research is to learn representations capable of generalizing across distribution shifts. Disentanglement is one promising direction aimed at aligning a models representations with the underlying factors generating the data (e.g. color or background). Existing disentanglement methods, however, rely on an often unrealistic assumption: that factors are statistically independent. In reality, factors (like object color and shape) are correlated. To address this limitation, we propose a relaxed disentanglement criterion - the Hausdorff Factorized Support (HFS) criterion - that encourages a factorized support, rather than a factorial distribution, by minimizing a Hausdorff distance. This allows for arbitrary distributions of the factors over their support, including correlations between them. We show that the use of HFS consistently facilitates disentanglement and recovery of ground-truth factors across a variety of correlation settings and benchmarks, even under severe training correlations and correlation shifts, with in parts over +60% in relative improvement over existing disentanglement methods. In addition, we find that leveraging HFS for representation learning can even facilitate transfer to downstream tasks such as classification under distribution shifts. We hope our original approach and positive empirical results inspire further progress on the open problem of robust generalization.

Large-scale graph training is a notoriously challenging problem for graph neural networks (GNNs). Due to the nature of evolving graph structures into the training process, vanilla GNNs usually fail to scale up, limited by the GPU memory space. Up to now, though numerous scalable GNN architectures have been proposed, we still lack a comprehensive survey and fair benchmark of this reservoir to find the rationale for designing scalable GNNs. To this end, we first systematically formulate the representative methods of large-scale graph training into several branches and further establish a fair and consistent benchmark for them by a greedy hyperparameter searching. In addition, regarding efficiency, we theoretically evaluate the time and space complexity of various branches and empirically compare them w.r.t GPU memory usage, throughput, and convergence. Furthermore, We analyze the pros and cons for various branches of scalable GNNs and then present a new ensembling training manner, named EnGCN, to address the existing issues. Remarkably, our proposed method has achieved new state-of-the-art (SOTA) performance on large-scale datasets. Our code is available at https://github.com/VITA-Group/Large_Scale_GCN_Benchmarking.

Recently vision transformers (ViT) have been applied successfully for various tasks in computer vision. However, important questions such as why they work or how they behave still remain largely unknown. In this paper, we propose an effective visualization technique, to assist us in exposing the information carried in neurons and feature embeddings across the ViT's layers. Our approach departs from the computational process of ViTs with a focus on visualizing the local and global information in input images and the latent feature embeddings at multiple levels. Visualizations at the input and embeddings at level 0 reveal interesting findings such as providing support as to why ViTs are rather generally robust to image occlusions and patch shuffling; or unlike CNNs, level 0 embeddings already carry rich semantic details. Next, we develop a rigorous framework to perform effective visualizations across layers, exposing the effects of ViTs filters and grouping/clustering behaviors to object patches. Finally, we provide comprehensive experiments on real datasets to qualitatively and quantitatively demonstrate the merit of our proposed methods as well as our findings. https://github.com/byM1902/ViT_visualization

Lipschitz constants are connected to many properties of neural networks, such as robustness, fairness, and generalization. Existing methods for computing Lipschitz constants either produce relatively loose upper bounds or are limited to small networks. In this paper, we develop an efficient framework for computing the $\ell_\infty$ local Lipschitz constant of a neural network by tightly upper bounding the norm of Clarke Jacobian via linear bound propagation. We formulate the computation of local Lipschitz constants with a linear bound propagation process on a high-order backward graph induced by the chain rule of Clarke Jacobian. To enable linear bound propagation, we derive tight linear relaxations for specific nonlinearities in Clarke Jacobian. This formulate unifies existing ad-hoc approaches such as RecurJac, which can be seen as a special case of ours with weaker relaxations. The bound propagation framework also allows us to easily borrow the popular Branch-and-Bound (BaB) approach from neural network verification to further tighten Lipschitz constants. Experiments show that on tiny models, our method produces comparable bounds compared to exact methods that cannot scale to slightly larger models; on larger models, our method efficiently produces tighter results than existing relaxed or naive methods, and our method scales to much larger practical models that previous works could not handle. We also demonstrate an application on provable monotonicity analysis. Code is available at https://github.com/shizhouxing/Local-Lipschitz-Constants.

Calorimeter simulation is the most computationally expensive part of Monte Carlo generation of samples necessary for analysis of experimental data at the Large Hadron Collider (LHC). The High-Luminosity upgrade of the LHC would require an even larger amount of such samples. We present a technique based on Discrete Variational Autoencoders (DVAEs) to simulate particle showers in Electromagnetic Calorimeters. We discuss how this work paves the way towards exploration of quantum annealing processors as sampling devices for generation of simulated High Energy Physics datasets.

Recent progress in deep generative models has improved the quality of neural vocoders in speech domain. However, it remains challenging to generate high-quality singing voice due to a wider variety of musical expressions in pitch, loudness, and pronunciations. In this work, we propose a hierarchical diffusion model for singing voice neural vocoders. The proposed method consists of multiple diffusion models operating in different sampling rates; the model at the lowest sampling rate focuses on generating accurate low frequency components such as pitch, and other models progressively generate the waveform at the higher sampling rates based on the data at the lower sampling rate and acoustic features. Experimental results show that the proposed method produces high-quality singing voice for multiple singers, outperforming state-of-the-art neural vocoders with a similar range of computational costs.

The Granger framework is widely used for discovering causal relationships based on time-varying signals. Implementations of Granger causality (GC) are mostly developed for densely sampled timeseries data. A substantially different setting, particularly common in population health applications, is the longitudinal study design, where multiple individuals are followed and sparsely observed for a limited number of times. Longitudinal studies commonly track many variables, which are likely governed by nonlinear dynamics that might have individual-specific idiosyncrasies and exhibit both direct and indirect causes. Furthermore, real-world longitudinal data often suffer from widespread missingness. GC methods are not well-suited to handle these issues. In this paper, we intend to fill this methodological gap. We propose to marry the GC framework with a machine learning based prediction model. We call our approach GLACIAL, which stands for "Granger and LeArning-based CausalIty Analysis for Longitudinal studies." GLACIAL treats individuals as independent samples and uses average prediction accuracy on hold-out individuals to test for effects of causal relationships. GLACIAL employs a multi-task neural network trained with input feature dropout to efficiently learn nonlinear dynamic relationships between a large number of variables, handle missing values, and probe causal links. Extensive experiments on synthetic and real data demonstrate the utility of GLACIAL and how it can outperform competitive baselines.

Recent years have witnessed the effectiveness of contrastive learning in obtaining the representation of dataset that is useful in interpretation and downstream tasks. However, the mechanism that describes this effectiveness have not been thoroughly analyzed, and many studies have been conducted to investigate the data structures captured by contrastive learning. In particular, the recent study of \citet{content_isolate} has shown that contrastive learning is capable of decomposing the data space into the space that is invariant to all augmentations and its complement. In this paper, we introduce the notion of invariance-adapted latent space that decomposes the data space into the intersections of the invariant spaces of each augmentation and their complements. This decomposition generalizes the one introduced in \citet{content_isolate}, and describes a structure that is analogous to the frequencies in the harmonic analysis of a group. We experimentally show that contrastive learning with lasso-type metric can be used to find an invariance-adapted latent space, thereby suggesting a new potential for the contrastive learning. We also investigate when such a latent space can be identified up to mixings within each component.

We consider a decluttering problem where multiple rigid convex polygonal objects rest in randomly placed positions and orientations on a planar surface and must be efficiently transported to a packing box using both single and multi-object grasps. Prior work considered frictionless multi-object grasping. In this paper, we introduce friction to increase picks per hour. We train a neural network using real examples to plan robust multi-object grasps. In physical experiments, we find an 11.7% increase in success rates, a 1.7x increase in picks per hour, and an 8.2x decrease in grasp planning time compared to prior work on multi-object grasping. Videos are available at https://youtu.be/pEZpHX5FZIs.

Quantum technologies require methods for preparing and manipulating entangled multiparticle states. However, the problem of determining whether a given quantum state is entangled or separable is known to be an NP-hard problem in general, and even the task of detecting entanglement breakdown for a given class of quantum states is difficult. In this work, we develop an approach for revealing entanglement breakdown using a machine learning technique, which is known as 'learning by confusion'. We consider a family of quantum states, which is parameterized such that there is a single critical value dividing states within this family into separate and entangled. We demonstrate the 'learning by confusion' scheme allows us to determine the critical value. Specifically, we study the performance of the method for the two-qubit, two-qutrit, and two-ququart entangled state. In addition, we investigate the properties of the local depolarization and the generalized amplitude damping channel in the framework of the confusion scheme. Within our approach and setting the parameterization of special trajectories, we obtain an entanglement-breakdown 'phase diagram' of a quantum channel, which indicates regions of entangled (separable) states and the entanglement-breakdown region. Then we extend the way of using the 'learning by confusion' scheme for recognizing whether an arbitrary given state is entangled or separable. We show that the developed method provides correct answers for a variety of states, including entangled states with positive partial transpose. We also present a more practical version of the method, which is suitable for studying entanglement breakdown in noisy intermediate-scale quantum devices. We demonstrate its performance using an available cloud-based IBM quantum processor.

We consider the combinatorial bandits problem with semi-bandit feedback under finite sampling budget constraints, in which the learner can carry out its action only for a limited number of times specified by an overall budget. The action is to choose a set of arms, whereupon feedback for each arm in the chosen set is received. Unlike existing works, we study this problem in a non-stochastic setting with subset-dependent feedback, i.e., the semi-bandit feedback received could be generated by an oblivious adversary and also might depend on the chosen set of arms. In addition, we consider a general feedback scenario covering both the numerical-based as well as preference-based case and introduce a sound theoretical framework for this setting guaranteeing sensible notions of optimal arms, which a learner seeks to find. We suggest a generic algorithm suitable to cover the full spectrum of conceivable arm elimination strategies from aggressive to conservative. Theoretical questions about the sufficient and necessary budget of the algorithm to find the best arm are answered and complemented by deriving lower bounds for any learning algorithm for this problem scenario.

Creating separable representations via representation learning and clustering is critical in analyzing large unstructured datasets with only a few labels. Separable representations can lead to supervised models with better classification capabilities and additionally aid in generating new labeled samples. Most unsupervised and semisupervised methods to analyze large datasets do not leverage the existing small amounts of labels to get better representations. In this paper, we propose a spatiotemporal clustering paradigm that uses spatial and temporal features combined with a constrained loss to produce separable representations. We show the working of this method on the newly published dataset ReaLSAT, a dataset of surface water dynamics for over 680,000 lakes across the world, making it an essential dataset in terms of ecology and sustainability. Using this large unlabelled dataset, we first show how a spatiotemporal representation is better compared to just spatial or temporal representation. We then show how we can learn even better representation using a constrained loss with few labels. We conclude by showing how our method, using few labels, can pick out new labeled samples from the unlabeled data, which can be used to augment supervised methods leading to better classification.

As Gaussian processes mature, they are increasingly being deployed as part of larger machine learning and decision-making systems, for instance in geospatial modeling, Bayesian optimization, or in latent Gaussian models. Within a system, the Gaussian process model needs to perform in a stable and reliable manner to ensure it interacts correctly with other parts the system. In this work, we study the numerical stability of scalable sparse approximations based on inducing points. We derive sufficient and in certain cases necessary conditions on the inducing points for the computations performed to be numerically stable. For low-dimensional tasks such as geospatial modeling, we propose an automated method for computing inducing points satisfying these conditions. This is done via a modification of the cover tree data structure, which is of independent interest. We additionally propose an alternative sparse approximation for regression with a Gaussian likelihood which trades off a small amount of performance to further improve stability. We evaluate the proposed techniques on a number of examples, showing that, in geospatial settings, sparse approximations with guaranteed numerical stability often perform comparably to those without.

Deep neural networks (DNNs) have demonstrated superior performance over classical machine learning to support many features in safety-critical systems. Although DNNs are now widely used in such systems (e.g., self driving cars), there is limited progress regarding automated support for functional safety analysis in DNN-based systems. For example, the identification of root causes of errors, to enable both risk analysis and DNN retraining, remains an open problem. In this paper, we propose SAFE, a black-box approach to automatically characterize the root causes of DNN errors. SAFE relies on a transfer learning model pre-trained on ImageNet to extract the features from error-inducing images. It then applies a density-based clustering algorithm to detect arbitrary shaped clusters of images modeling plausible causes of error. Last, clusters are used to effectively retrain and improve the DNN. The black-box nature of SAFE is motivated by our objective not to require changes or even access to the DNN internals to facilitate adoption. Experimental results show the superior ability of SAFE in identifying different root causes of DNN errors based on case studies in the automotive domain. It also yields significant improvements in DNN accuracy after retraining, while saving significant execution time and memory when compared to alternatives.

Randomized experiments (a.k.a. A/B tests) are a powerful tool for estimating treatment effects, to inform decisions making in business, healthcare and other applications. In many problems, the treatment has a lasting effect that evolves over time. A limitation with randomized experiments is that they do not easily extend to measure long-term effects, since running long experiments is time-consuming and expensive. In this paper, we take a reinforcement learning (RL) approach that estimates the average reward in a Markov process. Motivated by real-world scenarios where the observed state transition is nonstationary, we develop a new algorithm for a class of nonstationary problems, and demonstrate promising results in two synthetic datasets and one online store dataset.

With the ever-growing size of pre-trained models (PMs), fine-tuning them has become more expensive and resource-hungry. As a remedy, low-rank adapters (LoRA) keep the main pre-trained weights of the model frozen and just introduce some learnable truncated SVD modules (so-called LoRA blocks) to the model. While LoRA blocks are parameter efficient, they suffer from two major problems: first, the size of these blocks is fixed and cannot be modified after training (for example, if we need to change the rank of LoRA blocks, then we need to re-train them from scratch); second, optimizing their rank requires an exhaustive search and effort. In this work, we introduce a dynamic low-rank adaptation (DyLoRA) technique to address these two problems together. Our DyLoRA method trains LoRA blocks for a range of ranks instead of a single rank by sorting out the representation learned by the adapter module at different ranks during training. We evaluate our solution on different tasks of the GLUE benchmark using the RoBERTa model. Our results show that we can train dynamic search-free models with DyLoRA at least $7\times$ faster than LoRA without significantly compromising performance. Moreover, our models can perform consistently well on a much larger range of ranks compared to LoRA.

Distributed data mining is an emerging research topic to effectively and efficiently address hard data mining tasks using big data, which are partitioned and computed on different worker nodes, instead of one centralized server. Nevertheless, distributed learning methods often suffer from the communication bottleneck when the network bandwidth is limited or the size of model is large. To solve this critical issue, many gradient compression methods have been proposed recently to reduce the communication cost for multiple optimization algorithms. However, the current applications of gradient compression to adaptive gradient method, which is widely adopted because of its excellent performance to train DNNs, do not achieve the same ideal compression rate or convergence rate as Sketched-SGD. To address this limitation, in this paper, we propose a class of novel distributed Adam-type algorithms (\emph{i.e.}, SketchedAMSGrad) utilizing sketching, which is a promising compression technique that reduces the communication cost from $O(d)$ to $O(\log(d))$ where $d$ is the parameter dimension. In our theoretical analysis, we prove that our new algorithm achieves a fast convergence rate of $O(\frac{1}{\sqrt{nT}} + \frac{1}{(k/d)^2 T})$ with the communication cost of $O(k \log(d))$ at each iteration. Compared with single-machine AMSGrad, our algorithm can achieve the linear speedup with respect to the number of workers $n$. The experimental results on training various DNNs in distributed paradigm validate the efficiency of our algorithms.

Feed recommendation allows users to constantly browse items until feel uninterested and leave the session, which differs from traditional recommendation scenarios. Within a session, user's decision to continue browsing or not substantially affects occurrences of later clicks. However, such type of exposure bias is generally ignored or not explicitly modeled in most feed recommendation studies. In this paper, we model this effect as part of intra-session context, and propose a novel intra-session Context-aware Feed Recommendation (INSCAFER) framework to maximize the total views and total clicks simultaneously. User click and browsing decisions are jointly learned by a multi-task setting, and the intra-session context is encoded by the session-wise exposed item sequence. We deploy our model on Alipay with all key business benchmarks improved. Our method sheds some lights on feed recommendation studies which aim to optimize session-level click and view metrics.

Contrastive learning aims to extract distinctive features from data by finding an embedding representation where similar samples are close to each other, and different ones are far apart. We study how NNs generalize the concept of similarity in the presence of noise, investigating two phenomena: Double Descent (DD) behavior and online/offline correspondence. While DD examines how the network adjusts to the dataset during a long training time or by increasing the number of parameters, online/offline correspondence compares the network performances varying the quality (diversity) of the dataset. We focus on the simplest contrastive learning representative: Siamese Neural Networks (SNNs). We point out that SNNs can be affected by two distinct sources of noise: Pair Label Noise (PLN) and Single Label Noise (SLN). The effect of SLN is asymmetric, but it preserves similarity relations, while PLN is symmetric but breaks transitivity. We find that DD also appears in SNNs and is exacerbated by noise. We show that the dataset topology crucially affects generalization. While sparse datasets show the same performances under SLN and PLN for an equal amount of noise, SLN outperforms PLN in the overparametrized region in dense datasets. Indeed, in this regime, PLN similarity violation becomes macroscopical, corrupting the dataset to the point where complete overfitting cannot be achieved. We call this phenomenon Density-Induced Break of Similarity (DIBS). Probing the equivalence between online optimization and offline generalization in SNNs, we find that their correspondence breaks down in the presence of label noise for all the scenarios considered.

Branched Optimal Transport (BOT) is a generalization of optimal transport in which transportation costs along an edge are subadditive. This subadditivity models an increase in transport efficiency when shipping mass along the same route, favoring branched transportation networks. We here study the NP-hard optimization of BOT networks connecting a finite number of sources and sinks in $\mathbb{R}^2$. First, we show how to efficiently find the best geometry of a BOT network for many sources and sinks, given a topology. Second, we argue that a topology with more than three edges meeting at a branching point is never optimal. Third, we show that the results obtained for the Euclidean plane generalize directly to optimal transportation networks on two-dimensional Riemannian manifolds. Finally, we present a simple but effective approximate BOT solver combining geometric optimization with a combinatorial optimization of the network topology.

Vision Transformers (ViTs) have recently achieved competitive performance in broad vision tasks. Unfortunately, on popular threat models, naturally trained ViTs are shown to provide no more adversarial robustness than convolutional neural networks (CNNs). Adversarial training is still required for ViTs to defend against such adversarial attacks. In this paper, we provide the first and comprehensive study on the adversarial training recipe of ViTs via extensive evaluation of various training techniques across benchmark datasets. We find that pre-training and SGD optimizer are necessary for ViTs' adversarial training. Further considering ViT as a new type of model architecture, we investigate its adversarial robustness from the perspective of its unique architectural components. We find, when randomly masking gradients from some attention blocks or masking perturbations on some patches during adversarial training, the adversarial robustness of ViTs can be remarkably improved, which may potentially open up a line of work to explore the architectural information inside the newly designed models like ViTs. Our code is available at https://github.com/mo666666/When-Adversarial-Training-Meets-Vision-Transformers.

Several low-bandwidth distributable black-box optimization algorithms have recently been shown to perform nearly as well as more refined modern methods in some Deep Reinforcement Learning domains. In this work we investigate a core problem with the use of distributed workers in such systems. Further, we investigate the dramatic differences in performance between the popular Adam gradient descent algorithm and the simplest form of stochastic gradient descent. These investigations produce a stable, low-bandwidth learning algorithm that achieves 100\% usage of all connected CPUs under typical conditions.

Large NLP models have recently shown impressive performance in language understanding tasks, typically evaluated by their fine-tuned performance. Alternatively, probing has received increasing attention as being a lightweight method for interpreting the intrinsic mechanisms of large NLP models. In probing, post-hoc classifiers are trained on "out-of-domain" datasets that diagnose specific abilities. While probing the language models has led to insightful findings, they appear disjointed from the development of models. This paper explores the utility of probing deep NLP models to extract a proxy signal widely used in model development -- the fine-tuning performance. We find that it is possible to use the accuracies of only three probing tests to predict the fine-tuning performance with errors $40\%$ - $80\%$ smaller than baselines. We further discuss possible avenues where probing can empower the development of deep NLP models.

Large pre-trained language models (PLMs) have proven to be a crucial component of modern natural language processing systems. PLMs typically need to be fine-tuned on task-specific downstream datasets, which makes it hard to claim the ownership of PLMs and protect the developer's intellectual property due to the catastrophic forgetting phenomenon. We show that PLMs can be watermarked with a multi-task learning framework by embedding backdoors triggered by specific inputs defined by the owners, and those watermarks are hard to remove even though the watermarked PLMs are fine-tuned on multiple downstream tasks. In addition to using some rare words as triggers, we also show that the combination of common words can be used as backdoor triggers to avoid them being easily detected. Extensive experiments on multiple datasets demonstrate that the embedded watermarks can be robustly extracted with a high success rate and less influenced by the follow-up fine-tuning.

Numerous oncology indications have extensively quantified metabolically active tumors using positron emission tomography (PET) and computed tomography (CT). F-fluorodeoxyglucose-positron emission tomography (FDG-PET) is frequently utilized in clinical practice and clinical drug research to detect and measure metabolically active malignancies. The assessment of tumor burden using manual or computer-assisted tumor segmentation in FDG-PET images is widespread. Deep learning algorithms have also produced effective solutions in this area. However, there may be a need to improve the performance of a pre-trained deep learning network without the opportunity to modify this network. We investigate the potential benefits of test-time augmentation for segmenting tumors from PET-CT pairings. We applied a new framework of multilevel and multimodal tumor segmentation techniques that can simultaneously consider PET and CT data. In this study, we improve the network using a learnable composition of test time augmentations. We trained U-Net and Swin U-Netr on the training database to determine how different test time augmentation improved segmentation performance. We also developed an algorithm that finds an optimal test time augmentation contribution coefficient set. Using the newly trained U-Net and Swin U-Netr results, we defined an optimal set of coefficients for test-time augmentation and utilized them in combination with a pre-trained fixed nnU-Net. The ultimate idea is to improve performance at the time of testing when the model is fixed. Averaging the predictions with varying ratios on the augmented data can improve prediction accuracy. Our code will be available at \url{https://github.com/sepidehamiri/pet\_seg\_unet}

Algorithms for text-generation in dialogue can be misguided. For example, in task-oriented settings, reinforcement learning that optimizes only task-success can lead to abysmal lexical diversity. We hypothesize this is due to poor theoretical understanding of the objectives in text-generation and their relation to the learning process (i.e., model training). To this end, we propose a new theoretical framework for learning to generate text in dialogue. Compared to existing theories of learning, our framework allows for analysis of the multi-faceted goals inherent to text-generation. We use our framework to develop theoretical guarantees for learners that adapt to unseen data. As an example, we apply our theory to study data-shift within a cooperative learning algorithm proposed for the GuessWhat?! visual dialogue game. From this insight, we propose a new algorithm, and empirically, we demonstrate our proposal improves both task-success and human-likeness of the generated text. Finally, we show statistics from our theory are empirically predictive of multiple qualities of the generated dialogue, suggesting our theory is useful for model-selection when human evaluations are not available.

As an emerging machine learning paradigm, self-supervised learning (SSL) is able to learn high-quality representations for complex data without data labels. Prior work shows that, besides obviating the reliance on labeling, SSL also benefits adversarial robustness by making it more challenging for the adversary to manipulate model prediction. However, whether this robustness benefit generalizes to other types of attacks remains an open question. We explore this question in the context of trojan attacks by showing that SSL is comparably vulnerable as supervised learning to trojan attacks. Specifically, we design and evaluate CTRL, an extremely simple self-supervised trojan attack. By polluting a tiny fraction of training data (less than 1%) with indistinguishable poisoning samples, CTRL causes any trigger-embedded input to be misclassified to the adversary's desired class with a high probability (over 99%) at inference. More importantly, through the lens of CTRL, we study the mechanisms underlying self-supervised trojan attacks. With both empirical and analytical evidence, we reveal that the representation invariance property of SSL, which benefits adversarial robustness, may also be the very reason making SSL highly vulnerable to trojan attacks. We further discuss the fundamental challenges to defending against self-supervised trojan attacks, pointing to promising directions for future research.

Privacy concerns in federated learning (FL) are commonly addressed with secure aggregation schemes that prevent a central party from observing plaintext client updates. However, most such schemes neglect orthogonal FL research that aims at reducing communication between clients and the aggregator and is instrumental in facilitating cross-device FL with thousands and even millions of (mobile) participants. In particular, quantization techniques can typically reduce client-server communication by a factor of 32x. In this paper, we unite both research directions by introducing an efficient secure aggregation framework based on outsourced multi-party computation (MPC) that supports any linear quantization scheme. Specifically, we design a novel approximate version of an MPC-based secure aggregation protocol with support for multiple stochastic quantization schemes, including ones that utilize the randomized Hadamard transform and Kashin's representation. In our empirical performance evaluation, we show that with no additional overhead for clients and moderate inter-server communication, we achieve similar training accuracy as insecure schemes for standard FL benchmarks. Beyond this, we present an efficient extension to our secure quantized aggregation framework that effectively defends against state-of-the-art untargeted poisoning attacks.

This work addresses the rising demand for novel tools in statistical and machine learning for "graph-valued random variables" by proposing a fast algorithm to compute the sample Frechet mean, which replaces the concept of sample mean for graphs (or networks). We use convolutional neural networks to learn the morphology of the graphs in a set of graphs. Our experiments on several ensembles of random graphs demonstrate that our method can reliably recover the sample Frechet mean.

Unlabeled data examples awaiting annotations contain open-set noise inevitably. A few active learning studies have attempted to deal with this open-set noise for sample selection by filtering out the noisy examples. However, because focusing on the purity of examples in a query set leads to overlooking the informativeness of the examples, the best balancing of purity and informativeness remains an important question. In this paper, to solve this purity-informativeness dilemma in open-set active learning, we propose a novel Meta-Query-Net,(MQ-Net) that adaptively finds the best balancing between the two factors. Specifically, by leveraging the multi-round property of active learning, we train MQ-Net using a query set without an additional validation set. Furthermore, a clear dominance relationship between unlabeled examples is effectively captured by MQ-Net through a novel skyline regularization. Extensive experiments on multiple open-set active learning scenarios demonstrate that the proposed MQ-Net achieves 20.14% improvement in terms of accuracy, compared with the state-of-the-art methods.

Text embeddings are commonly evaluated on a small set of datasets from a single task not covering their possible applications to other tasks. It is unclear whether state-of-the-art embeddings on semantic textual similarity (STS) can be equally well applied to other tasks like clustering or reranking. This makes progress in the field difficult to track, as various models are constantly being proposed without proper evaluation. To solve this problem, we introduce the Massive Text Embedding Benchmark (MTEB). MTEB spans 8 embedding tasks covering a total of 56 datasets and 112 languages. Through the benchmarking of 33 models on MTEB, we establish the most comprehensive benchmark of text embeddings to date. We find that no particular text embedding method dominates across all tasks. This suggests that the field has yet to converge on a universal text embedding method and scale it up sufficiently to provide state-of-the-art results on all embedding tasks. MTEB comes with open-source code and a public leaderboard at https://huggingface.co/spaces/mteb/leaderboard.

Designing an incentive compatible auction that maximizes expected revenue is an intricate task. The single-item case was resolved in a seminal piece of work by Myerson in 1981, but more than 40 years later a full analytical understanding of the optimal design still remains elusive for settings with two or more items. In this work, we initiate the exploration of the use of tools from deep learning for the automated design of optimal auctions. We model an auction as a multi-layer neural network, frame optimal auction design as a constrained learning problem, and show how it can be solved using standard machine learning pipelines. In addition to providing generalization bounds, we present extensive experimental results, recovering essentially all known solutions that come from the theoretical analysis of optimal auction design problems and obtaining novel mechanisms for settings in which the optimal mechanism is unknown.

Legal and ethical restrictions on accessing relevant data inhibit data science research in critical domains such as health, finance, and education. Synthetic data generation algorithms with privacy guarantees are emerging as a paradigm to break this data logjam. Existing approaches, however, assume that the data holders supply their raw data to a trusted curator, who uses it as fuel for synthetic data generation. This severely limits the applicability, as much of the valuable data in the world is locked up in silos, controlled by entities who cannot show their data to each other or a central aggregator without raising privacy concerns. To overcome this roadblock, we propose the first solution in which data holders only share encrypted data for differentially private synthetic data generation. Data holders send shares to servers who perform Secure Multiparty Computation (MPC) computations while the original data stays encrypted. We instantiate this idea in an MPC protocol for the Multiplicative Weights with Exponential Mechanism (MWEM) algorithm to generate synthetic data based on real data originating from many data holders without reliance on a single point of failure.

Advances in natural language generation (NLG) have resulted in machine generated text that is increasingly difficult to distinguish from human authored text. Powerful open-source models are freely available, and user-friendly tools democratizing access to generative models are proliferating. The great potential of state-of-the-art NLG systems is tempered by the multitude of avenues for abuse. Detection of machine generated text is a key countermeasure for reducing abuse of NLG models, with significant technical challenges and numerous open problems. We provide a survey that includes both 1) an extensive analysis of threat models posed by contemporary NLG systems, and 2) the most complete review of machine generated text detection methods to date. This survey places machine generated text within its cybersecurity and social context, and provides strong guidance for future work addressing the most critical threat models, and ensuring detection systems themselves demonstrate trustworthiness through fairness, robustness, and accountability.

Dataset bias has attracted increasing attention recently for its detrimental effect on the generalization ability of fine-tuned models. The current mainstream solution is designing an additional shallow model to pre-identify biased instances. However, such two-stage methods scale up the computational complexity of training process and obstruct valid feature information while mitigating bias. To address this issue, we utilize the representation normalization method which aims at disentangling the correlations between features of encoded sentences. We find it also promising in eliminating the bias problem by providing isotropic data distribution. We further propose Kernel-Whitening, a Nystrom kernel approximation method to achieve more thorough debiasing on nonlinear spurious correlations. Our framework is end-to-end with similar time consumption to fine-tuning. Experiments show that Kernel-Whitening significantly improves the performance of BERT on out-of-distribution datasets while maintaining in-distribution accuracy.

Understanding the growth and distribution of the prawns is critical for optimising the feed and harvest strategies. An inadequate understanding of prawn growth can lead to reduced financial gain, for example, crops are harvested too early. The key to maintaining a good understanding of prawn growth is frequent sampling. However, the most commonly adopted sampling practice, the cast net approach, is unable to sample the prawns at a high frequency as it is expensive and laborious. An alternative approach is to sample prawns from feed trays that farm workers inspect each day. This will allow growth data collection at a high frequency (each day). But measuring prawns manually each day is a laborious task. In this article, we propose a new approach that utilises smart glasses, depth camera, computer vision and machine learning to detect prawn distribution and growth from feed trays. A smart headset was built to allow farmers to collect prawn data while performing daily feed tray checks. A computer vision + machine learning pipeline was developed and demonstrated to detect the growth trends of prawns in 4 prawn ponds over a growing season.

Many applications of text generation require incorporating different constraints to control the semantics or style of generated text. These constraints can be hard (e.g., ensuring certain keywords are included in the output) and soft (e.g., contextualizing the output with the left- or right-hand context). In this paper, we present Energy-based Constrained Decoding with Langevin Dynamics (COLD), a decoding framework which unifies constrained generation as specifying constraints through an energy function, then performing efficient differentiable reasoning over the constraints through gradient-based sampling. COLD decoding is a flexible framework that can be applied directly to off-the-shelf left-to-right language models without the need for any task-specific fine-tuning, as demonstrated through three challenging text generation applications: lexically-constrained generation, abductive reasoning, and counterfactual reasoning. Our experiments on these constrained generation tasks point to the effectiveness of our approach, both in terms of automatic and human evaluation.

Decentralized optimization is an emerging paradigm in distributed learning in which agents achieve network-wide solutions by peer-to-peer communication without the central server. Since communication tends to be slower than computation, when each agent communicates with only a few neighboring agents per iteration, they can complete iterations faster than with more agents or a central server. However, the total number of iterations to reach a network-wide solution is affected by the speed at which the agents' information is ``mixed'' by communication. We found that popular communication topologies either have large maximum degrees (such as stars and complete graphs) or are ineffective at mixing information (such as rings and grids). To address this problem, we propose a new family of topologies, EquiTopo, which has an (almost) constant degree and a network-size-independent consensus rate that is used to measure the mixing efficiency. In the proposed family, EquiStatic has a degree of $\Theta(\ln(n))$, where $n$ is the network size, and a series of time-dependent one-peer topologies, EquiDyn, has a constant degree of 1. We generate EquiDyn through a certain random sampling procedure. Both of them achieve an $n$-independent consensus rate. We apply them to decentralized SGD and decentralized gradient tracking and obtain faster communication and better convergence, theoretically and empirically. Our code is implemented through BlueFog and available at \url{https://github.com/kexinjinnn/EquiTopo}

To explain the decision of any model, we extend the notion of probabilistic Sufficient Explanations (P-SE). For each instance, this approach selects the minimal subset of features that is sufficient to yield the same prediction with high probability, while removing other features. The crux of P-SE is to compute the conditional probability of maintaining the same prediction. Therefore, we introduce an accurate and fast estimator of this probability via random Forests for any data $(\boldsymbol{X}, Y)$ and show its efficiency through a theoretical analysis of its consistency. As a consequence, we extend the P-SE to regression problems. In addition, we deal with non-discrete features, without learning the distribution of $\boldsymbol{X}$ nor having the model for making predictions. Finally, we introduce local rule-based explanations for regression/classification based on the P-SE and compare our approaches w.r.t other explainable AI methods. These methods are available as a Python package at \url{www.github.com/salimamoukou/acv00}.

We describe NTS-NOTEARS, a score-based structure learning method for time-series data to learn dynamic Bayesian networks (DBNs) that captures nonlinear, lagged (inter-slice) and instantaneous (intra-slice) relations among variables. NTS-NOTEARS utilizes 1D convolutional neural networks (CNNs) to model the dependence of child variables on their parents; 1D CNN is a neural function approximation model well-suited for sequential data. DBN-CNN structure learning is formulated as a continuous optimization problem with an acyclicity constraint, following the NOTEARS DAG learning approach. We show how prior knowledge of dependencies (e.g., forbidden and required edges) can be included as additional optimization constraints. Empirical evaluation on simulated and benchmark data show that NTS-NOTEARS achieves state-of-the-art DAG structure quality compared to both parametric and nonparametric baseline methods, with improvement in the range of 10-20% on the F1-score. We also evaluate NTS-NOTEARS on complex real-world data acquired from professional ice hockey games that contain a mixture of continuous and discrete variables.

We provide performance guarantees for a variant of simulation-based policy iteration for controlling Markov decision processes that involves the use of stochastic approximation algorithms along with state-of-the-art techniques that are useful for very large MDPs, including lookahead, function approximation, and gradient descent. Specifically, we analyze two algorithms; the first algorithm involves a least squares approach where a new set of weights associated with feature vectors is obtained via least squares minimization at each iteration and the second algorithm involves a two-time-scale stochastic approximation algorithm taking several steps of gradient descent towards the least squares solution before obtaining the next iterate using a stochastic approximation algorithm.

The biggest challenge for the deployment of Deep Neural Networks (DNNs) close to the generated data on edge devices is their size, i.e., memory footprint and computational complexity. Both are significantly reduced with quantization. With the resulting lower word-length, the energy efficiency of DNNs increases proportionally. However, lower word-length typically causes accuracy degradation. To counteract this effect, the quantized DNN is retrained. Unfortunately, training costs up to 5000x more energy than the inference of the quantized DNN. To address this issue, we propose a post-training quantization flow without the need for retraining. For this, we investigated different quantization options. Furthermore, our analysis systematically assesses the impact of reduced word-lengths of weights and activations revealing a clear trend for the choice of word-length. Both aspects have not been systematically investigated so far. Our results are independent of the depth of the DNNs and apply to uniform quantization, allowing fast quantization of a given pre-trained DNN. We excel state-of-the-art for 6 bit by 2.2% Top-1 accuracy for ImageNet. Without retraining, our quantization to 8 bit surpasses floating-point accuracy.

We construct and analyze approximation rates of deep operator networks (ONets) between infinite-dimensional spaces that emulate with an exponential rate of convergence the coefficient-to-solution map of elliptic second-order partial differential equations. In particular, we consider problems set in $d$-dimensional periodic domains, $d=1, 2, \dots$, and with analytic right-hand sides and coefficients. Our analysis covers linear, elliptic second order divergence-form PDEs as, e.g., diffusion-reaction problems, parametric diffusion equations, and elliptic systems such as linear isotropic elastostatics in heterogeneous materials. We leverage the exponential convergence of spectral collocation methods for boundary value problems whose solutions are analytic. In the present periodic and analytic setting, this follows from classical elliptic regularity. Within the ONet branch and trunk construction of [Chen and Chen, 1993] and of [Lu et al., 2021], we show the existence of deep ONets which emulate the coefficient-to-solution map to a desired accuracy in the $H^1$ norm, uniformly over the coefficient set. We prove that the neural networks in the ONet have size $\mathcal{O}(\left|\log(\varepsilon)\right|^\kappa)$, where $\varepsilon>0$ is the approximation accuracy, for some $\kappa>0$ depending on the physical space dimension.

Lifelong learning (LL) is vital for advanced task-oriented dialogue (ToD) systems. To address the catastrophic forgetting issue of LL, generative replay methods are widely employed to consolidate past knowledge with generated pseudo samples. However, most existing generative replay methods use only a single task-specific token to control their models. This scheme is usually not strong enough to constrain the generative model due to insufficient information involved. In this paper, we propose a novel method, prompt conditioned VAE for lifelong learning (PCLL), to enhance generative replay by incorporating tasks' statistics. PCLL captures task-specific distributions with a conditional variational autoencoder, conditioned on natural language prompts to guide the pseudo-sample generation. Moreover, it leverages a distillation process to further consolidate past knowledge by alleviating the noise in pseudo samples. Experiments on natural language understanding tasks of ToD systems demonstrate that PCLL significantly outperforms competitive baselines in building LL models.

Malware affecting Internet of Things (IoT) devices is rapidly growing due to the relevance of this paradigm in real-world scenarios. Specialized literature has also detected a trend towards multi-purpose malware able to execute different malicious actions such as remote control, data leakage, encryption, or code hiding, among others. Protecting IoT devices against this kind of malware is challenging due to their well-known vulnerabilities and limitation in terms of CPU, memory, and storage. To improve it, the moving target defense (MTD) paradigm was proposed a decade ago and has shown promising results, but there is a lack of IoT MTD solutions dealing with multi-purpose malware. Thus, this work proposes four MTD mechanisms changing IoT devices' network, data, and runtime environment to mitigate multi-purpose malware. Furthermore, it presents a lightweight and IoT-oriented MTD framework to decide what, when, and how the MTD mechanisms are deployed. Finally, the efficiency and effectiveness of the framework and MTD mechanisms are evaluated in a real-world scenario with one IoT spectrum sensor affected by multi-purpose malware.

This paper presents an optimized methodology to design and deploy Speech Enhancement (SE) algorithms based on Recurrent Neural Networks (RNNs) on a state-of-the-art MicroController Unit (MCU), with 1+8 general-purpose RISC-V cores. To achieve low-latency execution, we propose an optimized software pipeline interleaving parallel computation of LSTM or GRU recurrent blocks, featuring vectorized 8-bit integer (INT8) and 16-bit floating-point (FP16) compute units, with manually-managed memory transfers of model parameters. To ensure minimal accuracy degradation with respect to the full-precision models, we propose a novel FP16-INT8 Mixed-Precision Post-Training Quantization (PTQ) scheme that compresses the recurrent layers to 8-bit while the bit precision of remaining layers is kept to FP16. Experiments are conducted on multiple LSTM and GRU based SE models trained on the Valentini dataset, featuring up to 1.24M parameters. Thanks to the proposed approaches, we speed-up the computation by up to 4x with respect to the lossless FP16 baselines. Differently from a uniform 8-bit quantization that degrades the PESQ score by 0.3 on average, the Mixed-Precision PTQ scheme leads to a low-degradation of only 0.06, while achieving a 1.4-1.7x memory saving. Thanks to this compression, we cut the power cost of the external memory by fitting the large models on the limited on-chip non-volatile memory and we gain a MCU power saving of up to 2.5x by reducing the supply voltage from 0.8V to 0.65V while still matching the real-time constraints. Our design results 10x more energy efficient than state-of-the-art SE solutions deployed on single-core MCUs that make use of smaller models and quantization-aware training.

This paper proposes an advantage estimation approach based on data augmentation for policy optimization. Unlike using data augmentation on the input to learn value and policy function as existing methods use, our method uses data augmentation to compute a bootstrap advantage estimation. This Bootstrap Advantage Estimation (BAE) is then used for learning and updating the gradient of policy and value function. To demonstrate the effectiveness of our approach, we conducted experiments on several environments. These environments are from three benchmarks: Procgen, Deepmind Control, and Pybullet, which include both image and vector-based observations; discrete and continuous action spaces. We observe that our method reduces the policy and the value loss better than the Generalized advantage estimation (GAE) method and eventually improves cumulative return. Furthermore, our method performs better than two recently proposed data augmentation techniques (RAD and DRAC). Overall, our method performs better empirically than baselines in sample efficiency and generalization, where the agent is tested in unseen environments.

Robotics grasping refers to the task of making a robotic system pick an object by applying forces and torques on its surface. Despite the recent advances in data-driven approaches, grasping remains an unsolved problem. Most of the works on this task are relying on priors and heavy constraints to avoid the exploration problem. Novelty Search (NS) refers to evolutionary algorithms that replace selection of best performing individuals with selection of the most novel ones. Such methods have already shown promising results on hard exploration problems. In this work, we introduce a new NS-based method that can generate large datasets of grasping trajectories in a platform-agnostic manner. Inspired by the hierarchical learning paradigm, our method decouples approach and prehension to make the behavioral space smoother. Experiments conducted on 3 different robot-gripper setups and on several standard objects shows that our method outperforms state-of-the-art for generating diverse repertoire of grasping trajectories, getting a higher successful run ratio, as well as a better diversity for both approach and prehension. Some of the generated solutions have been successfully deployed on a real robot, showing the exploitability of the obtained repertoires.

The popular LSPE($\lambda$) algorithm for policy evaluation is revisited to derive a concentration bound that gives high probability performance guarantees from some time on.

Neural ordinary differential equations (ODEs) have attracted much attention as continuous-time counterparts of deep residual neural networks (NNs), and numerous extensions for recurrent NNs have been proposed. Since the 1980s, ODEs have also been used to derive theoretical results for NN learning rules, e.g., the famous connection between Oja's rule and principal component analysis. Such rules are typically expressed as additive iterative update processes which have straightforward ODE counterparts. Here we introduce a novel combination of learning rules and Neural ODEs to build continuous-time sequence processing nets that learn to manipulate short-term memory in rapidly changing synaptic connections of other nets. This yields continuous-time counterparts of Fast Weight Programmers and linear Transformers. Our novel models outperform the best existing Neural Controlled Differential Equation based models on various time series classification tasks, while also addressing their fundamental scalability limitations. Our code is public.

Distributionally Robust Optimization (DRO), which aims to find an optimal decision that minimizes the worst case cost over the ambiguity set of probability distribution, has been widely applied in diverse applications, e.g., network behavior analysis, risk management, etc. However, existing DRO techniques face three key challenges: 1) how to deal with the asynchronous updating in a distributed environment; 2) how to leverage the prior distribution effectively; 3) how to properly adjust the degree of robustness according to different scenarios. To this end, we propose an asynchronous distributed algorithm, named Asynchronous Single-looP alternatIve gRadient projEction (ASPIRE) algorithm with the itErative Active SEt method (EASE) to tackle the distributed distributionally robust optimization (DDRO) problem. Furthermore, a new uncertainty set, i.e., constrained D-norm uncertainty set, is developed to effectively leverage the prior distribution and flexibly control the degree of robustness. Finally, our theoretical analysis elucidates that the proposed algorithm is guaranteed to converge and the iteration complexity is also analyzed. Extensive empirical studies on real-world datasets demonstrate that the proposed method can not only achieve fast convergence, and remain robust against data heterogeneity as well as malicious attacks, but also tradeoff robustness with performance.

Landsat-8 (NASA) and Sentinel-2 (ESA) are two prominent multi-spectral imaging satellite projects that provide publicly available data. The multi-spectral imaging sensors of the satellites capture images of the earth's surface in the visible and infrared region of the electromagnetic spectrum. Since the majority of the earth's surface is constantly covered with clouds, which are not transparent at these wavelengths, many images do not provide much information. To increase the temporal availability of cloud-free images of a certain area, one can combine the observations from multiple sources. However, the sensors of satellites might differ in their properties, making the images incompatible. This work provides a first glance at the possibility of using a transformer-based model to reduce the spectral and spatial differences between observations from both satellite projects. We compare the results to a model based on a fully convolutional UNet architecture. Somewhat surprisingly, we find that, while deep models outperform classical approaches, the UNet significantly outperforms the transformer in our experiments.

In current research, machine and deep learning solutions for the classification of temporal data are shifting from single-channel datasets (univariate) to problems with multiple channels of information (multivariate). The majority of these works are focused on the method novelty and architecture, and the format of the input data is often treated implicitly. Particularly, multivariate datasets are often treated as a stack of univariate time series in terms of input preprocessing, with scaling methods applied across each channel separately. In this evaluation, we aim to demonstrate that the additional channel dimension is far from trivial and different approaches to scaling can lead to significantly different results in the accuracy of a solution. To that end, we test seven different data transformation methods on four different temporal dimensions and study their effect on the classification accuracy of five recent methods. We show that, for the large majority of tested datasets, the best transformation-dimension configuration leads to an increase in the accuracy compared to the result of each model with the same hyperparameters and no scaling, ranging from 0.16 to 76.79 percentage points. We also show that if we keep the transformation method constant, there is a statistically significant difference in accuracy results when applying it across different dimensions, with accuracy differences ranging from 0.23 to 47.79 percentage points. Finally, we explore the relation of the transformation methods and dimensions to the classifiers, and we conclude that there is no prominent general trend, and the optimal configuration is dataset- and classifier-specific.

Generative models are designed to address the data scarcity problem. Even with the exploding amount of data, due to computational advancements, some applications (e.g., health care, weather forecast, fault detection) still suffer from data insufficiency, especially in the time-series domain. Thus generative models are essential and powerful tools, but they still lack a consensual approach for quality assessment. Such deficiency hinders the confident application of modern implicit generative models on time-series data. Inspired by assessment methods on the image domain, we introduce the InceptionTime Score (ITS) and the Frechet InceptionTime Distance (FITD) to gauge the qualitative performance of class conditional generative models on the time-series domain. We conduct extensive experiments on 80 different datasets to study the discriminative capabilities of proposed metrics alongside two existing evaluation metrics: Train on Synthetic Test on Real (TSTR) and Train on Real Test on Synthetic (TRTS). Extensive evaluation reveals that the proposed assessment method, i.e., ITS and FITD in combination with TSTR, can accurately assess class-conditional generative model performance.

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using graph structures based on the relational inductive bias (homophily assumption). While GNNs have been commonly believed to outperform NNs in real-world tasks, recent work has identified a non-trivial set of datasets where their performance compared to NNs is not satisfactory. Heterophily has been considered the main cause of this empirical observation and numerous works have been put forward to address it. In this paper, we first revisit the widely used homophily metrics and point out that their consideration of only graph-label consistency is a shortcoming. Then, we study heterophily from the perspective of post-aggregation node similarity and define new homophily metrics, which are potentially advantageous compared to existing ones. Based on this investigation, we prove that some harmful cases of heterophily can be effectively addressed by local diversification operation. Then, we propose the Adaptive Channel Mixing (ACM), a framework to adaptively exploit aggregation, diversification and identity channels node-wisely to extract richer localized information for diverse node heterophily situations. ACM is more powerful than the commonly used uni-channel framework for node classification tasks on heterophilic graphs and is easy to be implemented in baseline GNN layers. When evaluated on 10 benchmark node classification tasks, ACM-augmented baselines consistently achieve significant performance gain, exceeding state-of-the-art GNNs on most tasks without incurring significant computational burden.

Neural architecture search (NAS) has demonstrated promising results on identifying efficient Transformer architectures which outperform manually designed ones for natural language tasks like neural machine translation (NMT). Existing NAS methods operate on a space of dense architectures, where all of the sub-architecture weights are activated for every input. Motivated by the recent advances in sparsely activated models like the Mixture-of-Experts (MoE) model, we introduce sparse architectures with conditional computation into the NAS search space. Given this expressive search space which subsumes prior densely activated architectures, we develop a new framework AutoMoE to search for efficient sparsely activated sub-Transformers. AutoMoE-generated sparse models obtain (i) 3x FLOPs reduction over manually designed dense Transformers and (ii) 23% FLOPs reduction over state-of-the-art NAS-generated dense sub-Transformers with parity in BLEU score on benchmark datasets for NMT. AutoMoE consists of three training phases: (a) Heterogeneous search space design with dense and sparsely activated Transformer modules (e.g., how many experts? where to place them? what should be their sizes?); (b) SuperNet training that jointly trains several subnetworks sampled from the large search space by weight-sharing; (c) Evolutionary search for the architecture with the optimal trade-off between task performance and computational constraint like FLOPs and latency. AutoMoE code, data and trained models are available at https://github.com/microsoft/AutoMoE.

Banks hold a societal responsibility and regulatory requirements to mitigate the risk of financial crimes. Risk mitigation primarily happens through monitoring customer activity through Transaction Monitoring (TM). Recently, Machine Learning (ML) has been proposed to identify suspicious customer behavior, which raises complex socio-technical implications around trust and explainability of ML models and their outputs. However, little research is available due to its sensitivity. We aim to fill this gap by presenting empirical research exploring how ML supported automation and augmentation affects the TM process and stakeholders' requirements for building eXplainable Artificial Intelligence (xAI). Our study finds that xAI requirements depend on the liable party in the TM process which changes depending on augmentation or automation of TM. Context-relatable explanations can provide much-needed support for auditing and may diminish bias in the investigator's judgement. These results suggest a use case-specific approach for xAI to adequately foster the adoption of ML in TM.

Contrastive learning, a self-supervised learning method that can learn representations from unlabeled data, has been developed promisingly. Many methods of contrastive learning depend on data augmentation techniques, which generate different views from the original signal. However, tuning policies and hyper-parameters for more effective data augmentation methods in contrastive learning is often time and resource-consuming. Researchers have designed approaches to automatically generate new views for some input signals, especially on the image data. But the view-learning method is not well developed for time-series data. In this work, we propose a simple but effective module for automating view generation for time-series data in contrastive learning, named learning views for time-series data (LEAVES). The proposed module learns the hyper-parameters for augmentations using adversarial training in contrastive learning. We validate the effectiveness of the proposed method using multiple time-series datasets. The experiments demonstrate that the proposed method is more effective in finding reasonable views and performs downstream tasks better than the baselines, including manually tuned augmentation-based contrastive learning methods and SOTA methods.

This paper revisits the bandit problem in the Bayesian setting. The Bayesian approach formulates the bandit problem as an optimization problem, and the goal is to find the optimal policy which minimizes the Bayesian regret. One of the main challenges facing the Bayesian approach is that computation of the optimal policy is often intractable, especially when the length of the problem horizon or the number of arms is large. In this paper, we first show that under a suitable rescaling, the Bayesian bandit problem converges to a continuous Hamilton-Jacobi-Bellman (HJB) equation. The optimal policy for the limiting HJB equation can be explicitly obtained for several common bandit problems, and we give numerical methods to solve the HJB equation when an explicit solution is not available. Based on these results, we propose an approximate Bayes-optimal policy for solving Bayesian bandit problems with large horizons. Our method has the added benefit that its computational cost does not increase as the horizon increases.

During initial iterations of training in most Reinforcement Learning (RL) algorithms, agents perform a significant number of random exploratory steps. In the real world, this can limit the practicality of these algorithms as it can lead to potentially dangerous behavior. Hence safe exploration is a critical issue in applying RL algorithms in the real world. This problem has been recently well studied under the Constrained Markov Decision Process (CMDP) Framework, where in addition to single-stage rewards, an agent receives single-stage costs or penalties as well depending on the state transitions. The prescribed cost functions are responsible for mapping undesirable behavior at any given time-step to a scalar value. The goal then is to find a feasible policy that maximizes reward returns while constraining the cost returns to be below a prescribed threshold during training as well as deployment. We propose an On-policy Model-based Safe Deep RL algorithm in which we learn the transition dynamics of the environment in an online manner as well as find a feasible optimal policy using the Lagrangian Relaxation-based Proximal Policy Optimization. We use an ensemble of neural networks with different initializations to tackle epistemic and aleatoric uncertainty issues faced during environment model learning. We compare our approach with relevant model-free and model-based approaches in Constrained RL using the challenging Safe Reinforcement Learning benchmark - the Open AI Safety Gym. We demonstrate that our algorithm is more sample efficient and results in lower cumulative hazard violations as compared to constrained model-free approaches. Further, our approach shows better reward performance than other constrained model-based approaches in the literature.

We propose a new task to benchmark scene understanding of embodied agents: Situated Question Answering in 3D Scenes (SQA3D). Given a scene context (e.g., 3D scan), SQA3D requires the tested agent to first understand its situation (position, orientation, etc.) in the 3D scene as described by text, then reason about its surrounding environment and answer a question under that situation. Based upon 650 scenes from ScanNet, we provide a dataset centered around 6.8k unique situations, along with 20.4k descriptions and 33.4k diverse reasoning questions for these situations. These questions examine a wide spectrum of reasoning capabilities for an intelligent agent, ranging from spatial relation comprehension to commonsense understanding, navigation, and multi-hop reasoning. SQA3D imposes a significant challenge to current multi-modal especially 3D reasoning models. We evaluate various state-of-the-art approaches and find that the best one only achieves an overall score of 47.20%, while amateur human participants can reach 90.06%. We believe SQA3D could facilitate future embodied AI research with stronger situation understanding and reasoning capability.

The short term passenger flow prediction of the urban rail transit system is of great significance for traffic operation and management. The emerging deep learning-based models provide effective methods to improve prediction accuracy. However, most of the existing models mainly predict the passenger flow on general weekdays or weekends. There are only few studies focusing on predicting the passenger flow on holidays, which is a significantly challenging task for traffic management because of its suddenness and irregularity. To this end, we propose a deep learning-based model named Spatial Temporal Attention Fusion Network comprising a novel Multi-Graph Attention Network, a Conv-Attention Block, and Feature Fusion Block for short-term passenger flow prediction on holidays. The multi-graph attention network is applied to extract the complex spatial dependencies of passenger flow dynamically and the conv-attention block is applied to extract the temporal dependencies of passenger flow from global and local perspectives. Moreover, in addition to the historical passenger flow data, the social media data, which has been proven that they can effectively reflect the evolution trend of passenger flow under events, are also fused into the feature fusion block of STAFN. The STAFN is tested on two large-scale urban rail transit AFC datasets from China on the New Year holiday, and the prediction performance of the model are compared with that of several conventional prediction models. Results demonstrate its better robustness and advantages among benchmark methods, which can provide overwhelming support for practical applications of short term passenger flow prediction on holidays.

Reference-model-assisted deep reinforcement learning (DRL) for inverter-based Volt-Var Control (IB-VVC) in active distribution networks is proposed. We investigate that a large action space increases the learning difficulties of DRL and degrades the optimization performance in the process of generating data and training neural networks. To reduce the action space of DRL, we design a reference-model-assisted DRL approach. We introduce definitions of the reference model, reference-model-based optimization, and reference actions. The reference-model-assisted DRL learns the residual actions between the reference actions and optimal actions, rather than learning the optimal actions directly. Since the residual actions are considerably smaller than the optimal actions for a reference model, we can design a smaller action space for the reference-model-assisted DRL. It reduces the learning difficulties of DRL and optimises the performance of the reference-model-assisted DRL approach. It is noteworthy that the reference-model-assisted DRL approach is compatible with any policy gradient DRL algorithms for continuous action problems. This work takes the soft actor-critic algorithm as an example and designs a reference-model-assisted soft actor-critic algorithm. Simulations show that 1) large action space degrades the performance of DRL in the whole training stage, and 2) reference-model-assisted DRL requires fewer iteration times and returns a better optimization performance.

We address dense action forecasting: the problem of predicting future action sequence over long durations based on partial observation. Our key insight is that future action sequences are more accurately modeled with variable, rather than one, levels of abstraction, and that the optimal level of abstraction can be dynamically selected during the prediction process. Our experiments show that most parts of future action sequences can be predicted confidently in fine detail only in small segments of future frames, which are effectively ``islands'' of high model prediction confidence in a ``sea'' of uncertainty. We propose a combination Bayesian neural network and hierarchical convolutional segmentation model to both accurately predict future actions and optimally select abstraction levels. We evaluate this approach on standard datasets against existing state-of-the-art systems and demonstrate that our ``islands of predictability'' approach maintains fine-grained action predictions while also making accurate abstract predictions where systems were previously unable to do so, and thus results in substantial, monotonic increases in accuracy.

We study what dataset assumption permits solving offline two-player zero-sum Markov games. In stark contrast to the offline single-agent Markov decision process, we show that the single strategy concentration assumption is insufficient for learning the Nash equilibrium (NE) strategy in offline two-player zero-sum Markov games. On the other hand, we propose a new assumption named unilateral concentration and design a pessimism-type algorithm that is provably efficient under this assumption. In addition, we show that the unilateral concentration assumption is necessary for learning an NE strategy. Furthermore, our algorithm can achieve minimax sample complexity without any modification for two widely studied settings: dataset with uniform concentration assumption and turn-based Markov games. Our work serves as an important initial step towards understanding offline multi-agent reinforcement learning.

While the Turkish language is listed among low-resource languages, literature on Turkish automatic speech recognition (ASR) is relatively old. In this paper, we present HuBERT-TR, a speech representation model for Turkish based on HuBERT. HuBERT-TR achieves state-of-the-art results on several Turkish ASR datasets. We investigate pre-training HuBERT for Turkish with large-scale data curated from online resources. We pre-train HuBERT-TR using over 6,500 hours of speech data curated from YouTube that includes extensive variability in terms of quality and genre. We show that pre-trained models within a multi-lingual setup are inferior to language-specific models, where our Turkish model HuBERT-TR base performs better than its x10 times larger multi-lingual counterpart XLS-R-1B. Moreover, we study the effect of scaling on ASR performance by scaling our models up to 1B parameters. Our best model yields a state-of-the-art word error rate of 4.97% on the Turkish Broadcast News dataset. Models are available at huggingface.co/asafaya .

When an Agent visits a platform recommending a menu of content to select from, their choice of item depends not only on fixed preferences, but also on their prior engagements with the platform. The Recommender's primary objective is typically to encourage content consumption which optimizes some reward, such as ad revenue, but they often also aim to ensure that a wide variety of content is consumed by the Agent over time. We formalize this problem as an adversarial bandit task. At each step, the Recommender presents a menu of $k$ (out of $n$) items to the Agent, who selects one item in the menu according to their unknown preference model, which maps their history of past items to relative selection probabilities. The Recommender then observes the Agent's chosen item and receives bandit feedback of the item's reward. In addition to optimizing reward from selected items, the Recommender must also ensure that the total distribution of chosen items has sufficiently high entropy. We define a class of preference models which are locally learnable, i.e. behavior over the entire domain can be estimated by only observing behavior in a small region; this includes models representable by bounded-degree polynomials as well as functions with a sparse Fourier basis. For this class, we give an algorithm for the Recommender which obtains $\tilde{O}(T^{3/4})$ regret against all item distributions satisfying two conditions: they are sufficiently diversified, and they are instantaneously realizable at any history by some distribution over menus. We show that these conditions are closely connected: all sufficiently high-entropy distributions are instantaneously realizable at any item history. We also give a set of negative results justifying our assumptions, in the form of a runtime lower bound for non-local learning and linear regret lower bounds for alternate benchmarks.

In this paper, we aim at reducing the variance of doubly stochastic optimization, a type of stochastic optimization algorithm that contains two independent sources of randomness: The subsampling of training data and the Monte Carlo estimation of expectations. Such an optimization regime often has the issue of large gradient variance which would lead to a slow rate of convergence. Therefore we propose Dual Control Variate, a new type of control variate capable of reducing gradient variance from both sources jointly. The dual control variate is built upon approximation-based control variates and incremental gradient methods. We show that on doubly stochastic optimization problems, compared with past variance reduction approaches that take only one source of randomness into account, dual control variate leads to a gradient estimator of significant smaller variance and demonstrates superior performance on real-world applications, like generalized linear models with dropout and black-box variational inference.  ( 2 min )

Nowadays, the Internet of Things (IoT) has become one of the most important technologies which enables a variety of connected and intelligent applications in smart cities. The smart decision making process of IoT devices not only relies on the large volume of data collected from their sensors, but also depends on advanced optimization theories and novel machine learning technologies which can process and analyse the collected data in specific network structure. Therefore, it becomes practically important to investigate how different optimization algorithms and machine learning techniques can be leveraged to improve system performance. As one of the most important vertical domains for IoT applications, smart transportation system has played a key role for providing real-world information and services to citizens by making their access to transport facilities easier and thus it is one of the key application areas to be explored in this thesis. In a nutshell, this thesis covers three key topics related to applying mathematical optimization and deep learning methods to IoT networks. In the first topic, we propose an optimal transmission frequency management scheme using decentralized ADMM-based method in a IoT network and introduce a mechanism to identify anomalies in data transmission frequency using an LSTM-based architecture. In the second topic, we leverage graph neural network (GNN) for demand prediction for shared bikes. In particular, we introduce a novel architecture, i.e., attention-based spatial temporal graph convolutional network (AST-GCN), to improve the prediction accuracy in real world datasets. In the last topic, we consider a highway traffic network scenario where frequent lane changing behaviors may occur with probability. A specific GNN based anomaly detector is devised to reveal such a probability driven by data collected in a dedicated mobility simulator.  ( 3 min )

Scaling up model sizes can lead to fundamentally new capabilities in many machine learning (ML) tasks. However, training big models requires strong distributed system expertise to carefully design model-parallel execution strategies that suit the model architectures and cluster setups. In this paper, we develop AMP, a framework that automatically derives such strategies. AMP identifies a valid space of model parallelism strategies and efficiently searches the space for high-performed strategies, by leveraging a cost model designed to capture the heterogeneity of the model and cluster specifications. Unlike existing methods, AMP is specifically tailored to support complex models composed of uneven layers and cluster setups with more heterogeneous accelerators and bandwidth. We evaluate AMP on popular models and cluster setups from public clouds and show that AMP returns parallel strategies that match the expert-tuned strategies on typical cluster setups. On heterogeneous clusters or models with heterogeneous architectures, AMP finds strategies with 1.54x and 1.77x higher throughput than state-of-the-art model-parallel systems, respectively.  ( 2 min )

Traditional systems designed for task oriented dialog utilize knowledge present only in structured knowledge sources to generate responses. However, relevant information required to generate responses may also reside in unstructured sources, such as documents. Recent state of the art models such as HyKnow and SeKnow aimed at overcoming these challenges make limiting assumptions about the knowledge sources. For instance, these systems assume that certain types of information, such as a phone number, is always present in a structured KB while information about aspects such as entrance ticket prices would always be available in documents. In this paper, we create a modified version of the MutliWOZ based dataset prepared by SeKnow to demonstrate how current methods have significant degradation in performance when strict assumptions about the source of information are removed. Then, in line with recent work exploiting pre-trained language models, we fine-tune a BART based model using prompts for the tasks of querying knowledge sources, as well as, for response generation, without making assumptions about the information present in each knowledge source. Through a series of experiments, we demonstrate that our model is robust to perturbations to knowledge modality (source of information), and that it can fuse information from structured as well as unstructured knowledge to generate responses.  ( 2 min )

Bayesian model comparison (BMC) offers a principled probabilistic approach to study and rank competing models. In standard BMC, we construct a discrete probability distribution over the set of possible models, conditional on the observed data of interest. These posterior model probabilities (PMPs) are measures of uncertainty, but, when derived from a finite number of observations, are also uncertain themselves. In this paper, we conceptualize distinct levels of uncertainty which arise in BMC. We explore a fully probabilistic framework for quantifying meta-uncertainty, resulting in an applied method to enhance any BMC workflow. Drawing on both Bayesian and frequentist techniques, we represent the uncertainty over the uncertain PMPs via meta-models which combine simulated and observed data into a predictive distribution for PMPs on new data. We demonstrate the utility of the proposed method in the context of conjugate Bayesian regression, likelihood-based inference with Markov chain Monte Carlo, and simulation-based inference with neural networks.  ( 2 min )

This paper presents the largest publicly available, non-simulated, fleet-wide aircraft flight recording and maintenance log data for use in predicting part failure and maintenance need. We present 31,177 hours of flight data across 28,935 flights, which occur relative to 2,111 unplanned maintenance events clustered into 36 types of maintenance issues. Flights are annotated as before or after maintenance, with some flights occurring on the day of maintenance. Collecting data to evaluate predictive maintenance systems is challenging because it is difficult, dangerous, and unethical to generate data from compromised aircraft. To overcome this, we use the National General Aviation Flight Information Database (NGAFID), which contains flights recorded during regular operation of aircraft, and maintenance logs to construct a part failure dataset. We use a novel framing of Remaining Useful Life (RUL) prediction and consider the probability that the RUL of a part is greater than 2 days. Unlike previous datasets generated with simulations or in laboratory settings, the NGAFID Aviation Maintenance Dataset contains real flight records and maintenance logs from different seasons, weather conditions, pilots, and flight patterns. Additionally, we provide Python code to easily download the dataset and a Colab environment to reproduce our benchmarks on three different models. Our dataset presents a difficult challenge for machine learning researchers and a valuable opportunity to test and develop prognostic health management methods  ( 3 min )

Hypergraph neural networks can model multi-way connections among nodes of the graphs, which are common in real-world applications such as genetic medicine. In particular, genetic pathways or gene sets encode molecular functions driven by multiple genes, naturally represented as hyperedges. Thus, hypergraph-guided embedding can capture functional relations in learned representations. Existing hypergraph neural network models often focus on node-level or graph-level inference. There is an unmet need in learning powerful representations of subgraphs of hypergraphs in real-world applications. For example, a cancer patient can be viewed as a subgraph of genes harboring mutations in the patient, while all the genes are connected by hyperedges that correspond to pathways representing specific molecular functions. For accurate inductive subgraph prediction, we propose SubHypergraph Inductive Neural nEtwork (SHINE). SHINE uses informative genetic pathways that encode molecular functions as hyperedges to connect genes as nodes. SHINE jointly optimizes the objectives of end-to-end subgraph classification and hypergraph nodes' similarity regularization. SHINE simultaneously learns representations for both genes and pathways using strongly dual attention message passing. The learned representations are aggregated via a subgraph attention layer and used to train a multilayer perceptron for inductive subgraph inferencing. We evaluated SHINE against a wide array of state-of-the-art (hyper)graph neural networks, XGBoost, NMF and polygenic risk score models, using large scale NGS and curated datasets. SHINE outperformed all comparison models significantly, and yielded interpretable disease models with functional insights.  ( 3 min )

A successful paradigm in representation learning is to perform self-supervised pretraining using tasks based on mini-batch statistics (e.g., SimCLR, VICReg, SwAV, MSN). We show that in the formulation of all these methods is an overlooked prior to learn features that enable uniform clustering of the data. While this prior has led to remarkably semantic representations when pretraining on class-balanced data, such as ImageNet, we demonstrate that it can hamper performance when pretraining on class-imbalanced data. By moving away from conventional uniformity priors and instead preferring power-law distributed feature clusters, we show that one can improve the quality of the learned representations on real-world class-imbalanced datasets. To demonstrate this, we develop an extension of the Masked Siamese Networks (MSN) method to support the use of arbitrary features priors.  ( 2 min )

Pediatric low-grade glioma (pLGG) is the most common type of brain cancer among children, and the identification of molecular markers for pLGG is crucial for successful treatment planning. Current standard care is biopsy, which is invasive. Thus, the non-invasive imaging-based approaches, where Machine Learning (ML) has a high potential, are impactful. Recently, we developed a tumor-location-based algorithm and demonstrated its potential to differentiate pLGG molecular subtypes. In this work, we first reevaluated the performance of the location-based algorithm on a larger pLGG dataset, which includes 214 patients and achieved an area under the receiver operating characteristic curve (AUROC) of 77.90. A Convolutional Neural Network (CNN) based algorithm increased the average AUROC to 86.11. Ultimately, we designed and implemented a tumor-location-guided CNN algorithm and achieved average AUROC of 88.64. Using a repeated experiment approach with 100 runs, we ensured the results were reproducible and the improvement was statistically significant.  ( 2 min )

Payment channel networks (PCNs) are a layer-2 blockchain scalability solution, with its main entity, the payment channel, enabling transactions between pairs of nodes "off-chain," thus reducing the burden on the layer-1 network. Nodes with multiple channels can serve as relays for multihop payments over a path of channels: they relay payments of others by providing the liquidity of their channels, in exchange for part of the amount withheld as a fee. Relay nodes might after a while end up with one or more unbalanced channels, and thus need to trigger a rebalancing operation. In this paper, we study how a relay node can maximize its profits from fees by using the rebalancing method of submarine swaps. We introduce a stochastic model to capture the dynamics of a relay node observing random transaction arrivals and performing occasional rebalancing operations, and express the system evolution as a Markov Decision Process. We formulate the problem of the maximization of the node's fortune over time over all rebalancing policies, and approximate the optimal solution by designing a Deep Reinforcement Learning (DRL)-based rebalancing policy. We build a discrete event simulator of the system and use it to demonstrate the DRL policy's superior performance under most conditions by conducting a comparative study of different policies and parameterizations. In all, our approach aims to be the first to introduce DRL for network optimization in the complex world of PCNs.  ( 3 min )

Parametric verification of linear temporal properties for stochastic models can be expressed as computing the satisfaction probability of a certain property as a function of the parameters of the model. Smoothed model checking (smMC) aims at inferring the satisfaction function over the entire parameter space from a limited set of observations obtained via simulation. As observations are costly and noisy, smMC is framed as a Bayesian inference problem so that the estimates have an additional quantification of the uncertainty. In smMC the authors use Gaussian Processes (GP), inferred by means of the Expectation Propagation algorithm. This approach provides accurate reconstructions with statistically sound quantification of the uncertainty. However, it inherits the well-known scalability issues of GP. In this paper, we exploit recent advances in probabilistic machine learning to push this limitation forward, making Bayesian inference of smMC scalable to larger datasets and enabling its application to models with high dimensional parameter spaces. We propose Stochastic Variational Smoothed Model Checking (SV-smMC), a solution that exploits stochastic variational inference (SVI) to approximate the posterior distribution of the smMC problem. The strength and flexibility of SVI make SV-smMC applicable to two alternative probabilistic models: Gaussian Processes (GP) and Bayesian Neural Networks (BNN). The core ingredient of SVI is a stochastic gradient-based optimization that makes inference easily parallelizable and that enables GPU acceleration. In this paper, we compare the performances of smMC against those of SV-smMC by looking at the scalability, the computational efficiency and the accuracy of the reconstructed satisfaction function.  ( 3 min )

We consider Bayesian inference from multiple time series described by a common state-space model (SSM) structure, but where different subsets of parameters are shared between different submodels. An important example is disease-dynamics, where parameters can be either disease or location specific. Parameter inference in these models can be improved by systematically aggregating information from the different time series, most notably for short series. Particle Gibbs (PG) samplers are an efficient class of algorithms for inference in SSMs, in particular when conjugacy can be exploited to marginalize out model parameters from the state update. We present two different PG samplers that marginalize static model parameters on-the-fly: one that updates one model at a time conditioned on the datasets for the other models, and one that concurrently updates all models by stacking them into a high-dimensional SSM. The distinctive features of each sampler make them suitable for different modelling contexts. We provide insights on when each sampler should be used and show that they can be combined to form an efficient PG sampler for a model with strong dependencies between states and parameters. The performance is illustrated on two linear-Gaussian examples and on a real-world example on the spread of mosquito-borne diseases.  ( 3 min )

One of the greatest sources of uncertainty in future climate projections comes from limitations in modelling clouds and in understanding how different cloud types interact with the climate system. A key first step in reducing this uncertainty is to accurately classify cloud types at high spatial and temporal resolution. In this paper, we introduce Cumulo, a benchmark dataset for training and evaluating global cloud classification models. It consists of one year of 1km resolution MODIS hyperspectral imagery merged with pixel-width 'tracks' of CloudSat cloud labels. Bringing these complementary datasets together is a crucial first step, enabling the Machine-Learning community to develop innovative new techniques which could greatly benefit the Climate community. To showcase Cumulo, we provide baseline performance analysis using an invertible flow generative model (IResNet), which further allows us to discover new sub-classes for a given cloud class by exploring the latent space. To compare methods, we introduce a set of evaluation criteria, to identify models that are not only accurate, but also physically-realistic. CUMULO can be download from https://www.dropbox.com/sh/i3s9q2v2jjyk2it/AACxXnXfMF5wuIqLXqH4NJOra?dl=0 .  ( 3 min )

Domain generalization (DG) seeks predictors which perform well on unseen test distributions by leveraging data drawn from multiple related training distributions or domains. To achieve this, DG is commonly formulated as an average- or worst-case problem over the set of possible domains. However, predictors that perform well on average lack robustness while predictors that perform well in the worst case tend to be overly-conservative. To address this, we propose a new probabilistic framework for DG where the goal is to learn predictors that perform well with high probability. Our key idea is that distribution shifts seen during training should inform us of probable shifts at test time, which we realize by explicitly relating training and test domains as draws from the same underlying meta-distribution. To achieve probable DG, we propose a new optimization problem called Quantile Risk Minimization (QRM). By minimizing the $\alpha$-quantile of predictor's risk distribution over domains, QRM seeks predictors that perform well with probability $\alpha$. To solve QRM in practice, we propose the Empirical QRM (EQRM) algorithm, and prove: (i) a generalization bound for EQRM; and (ii) that EQRM recovers the causal predictor as $\alpha \to 1$. In our experiments, we introduce a more holistic quantile-focused evaluation protocol for DG, and demonstrate that EQRM outperforms state-of-the-art baselines on CMNIST and several datasets from WILDS and DomainBed.

Regime shifts in high-dimensional time series arise naturally in many applications, from neuroimaging to finance. This problem has received considerable attention in low-dimensional settings, with both Bayesian and frequentist methods used extensively for parameter estimation. The EM algorithm is a particularly popular strategy for parameter estimation in low-dimensional settings, although the statistical properties of the resulting estimates have not been well understood. Furthermore, its extension to high-dimensional time series has proved challenging. To overcome these challenges, in this paper we propose an approximate EM algorithm for Markov-switching VAR models that leads to efficient computation and also facilitates the investigation of asymptotic properties of the resulting parameter estimates. We establish the consistency of the proposed EM algorithm in high dimensions and investigate its performance via simulation studies.

Machine learning applications frequently come with multiple diverse objectives and constraints that can change over time. Accordingly, trained models can be tuned with sets of hyper-parameters that affect their predictive behavior (e.g., their run-time efficiency versus error rate). As the number of constraints and hyper-parameter dimensions grow, naively selected settings may lead to sub-optimal and/or unreliable results. We develop an efficient method for calibrating models such that their predictions provably satisfy multiple explicit and simultaneous statistical guarantees (e.g., upper-bounded error rates), while also optimizing any number of additional, unconstrained objectives (e.g., total run-time cost). Building on recent results in distribution-free, finite-sample risk control for general losses, we propose Pareto Testing: a two-stage process which combines multi-objective optimization with multiple hypothesis testing. The optimization stage constructs a set of promising combinations on the Pareto frontier. We then apply statistical testing to this frontier only to identify configurations that have (i) high utility with respect to our objectives, and (ii) guaranteed risk levels with respect to our constraints, with specifiable high probability. We demonstrate the effectiveness of our approach to reliably accelerate the execution of large-scale Transformer models in natural language processing (NLP) applications. In particular, we show how Pareto Testing can be used to dynamically configure multiple inter-dependent model attributes -- including the number of layers computed before exiting, number of attention heads pruned, or number of text tokens considered -- to simultaneously control and optimize various accuracy and cost metrics.

Various privacy-preserving frameworks that respect the individual's privacy in the analysis of data have been developed in recent years. However, available model classes such as simple statistics or generalized linear models lack the flexibility required for a good approximation of the underlying data-generating process in practice. In this paper, we propose an algorithm for a distributed, privacy-preserving, and lossless estimation of generalized additive mixed models (GAMM) using component-wise gradient boosting (CWB). Making use of CWB allows us to reframe the GAMM estimation as a distributed fitting of base learners using the $L_2$-loss. In order to account for the heterogeneity of different data location sites, we propose a distributed version of a row-wise tensor product that allows the computation of site-specific (smooth) effects. Our adaption of CWB preserves all the important properties of the original algorithm, such as an unbiased feature selection and the feasibility to fit models in high-dimensional feature spaces, and yields equivalent model estimates as CWB on pooled data. Next to a derivation of the equivalence of both algorithms, we also showcase the efficacy of our algorithm on a distributed heart disease data set and compare it with state-of-the-art methods.

Contrastive learning aims to extract distinctive features from data by finding an embedding representation where similar samples are close to each other, and different ones are far apart. We study how NNs generalize the concept of similarity in the presence of noise, investigating two phenomena: Double Descent (DD) behavior and online/offline correspondence. While DD examines how the network adjusts to the dataset during a long training time or by increasing the number of parameters, online/offline correspondence compares the network performances varying the quality (diversity) of the dataset. We focus on the simplest contrastive learning representative: Siamese Neural Networks (SNNs). We point out that SNNs can be affected by two distinct sources of noise: Pair Label Noise (PLN) and Single Label Noise (SLN). The effect of SLN is asymmetric, but it preserves similarity relations, while PLN is symmetric but breaks transitivity. We find that DD also appears in SNNs and is exacerbated by noise. We show that the dataset topology crucially affects generalization. While sparse datasets show the same performances under SLN and PLN for an equal amount of noise, SLN outperforms PLN in the overparametrized region in dense datasets. Indeed, in this regime, PLN similarity violation becomes macroscopical, corrupting the dataset to the point where complete overfitting cannot be achieved. We call this phenomenon Density-Induced Break of Similarity (DIBS). Probing the equivalence between online optimization and offline generalization in SNNs, we find that their correspondence breaks down in the presence of label noise for all the scenarios considered.

Recent years have witnessed the effectiveness of contrastive learning in obtaining the representation of dataset that is useful in interpretation and downstream tasks. However, the mechanism that describes this effectiveness have not been thoroughly analyzed, and many studies have been conducted to investigate the data structures captured by contrastive learning. In particular, the recent study of \citet{content_isolate} has shown that contrastive learning is capable of decomposing the data space into the space that is invariant to all augmentations and its complement. In this paper, we introduce the notion of invariance-adapted latent space that decomposes the data space into the intersections of the invariant spaces of each augmentation and their complements. This decomposition generalizes the one introduced in \citet{content_isolate}, and describes a structure that is analogous to the frequencies in the harmonic analysis of a group. We experimentally show that contrastive learning with lasso-type metric can be used to find an invariance-adapted latent space, thereby suggesting a new potential for the contrastive learning. We also investigate when such a latent space can be identified up to mixings within each component.

We study what dataset assumption permits solving offline two-player zero-sum Markov games. In stark contrast to the offline single-agent Markov decision process, we show that the single strategy concentration assumption is insufficient for learning the Nash equilibrium (NE) strategy in offline two-player zero-sum Markov games. On the other hand, we propose a new assumption named unilateral concentration and design a pessimism-type algorithm that is provably efficient under this assumption. In addition, we show that the unilateral concentration assumption is necessary for learning an NE strategy. Furthermore, our algorithm can achieve minimax sample complexity without any modification for two widely studied settings: dataset with uniform concentration assumption and turn-based Markov games. Our work serves as an important initial step towards understanding offline multi-agent reinforcement learning.

This work addresses the rising demand for novel tools in statistical and machine learning for "graph-valued random variables" by proposing a fast algorithm to compute the sample Frechet mean, which replaces the concept of sample mean for graphs (or networks). We use convolutional neural networks to learn the morphology of the graphs in a set of graphs. Our experiments on several ensembles of random graphs demonstrate that our method can reliably recover the sample Frechet mean.  ( 2 min )

In this paper, we aim at reducing the variance of doubly stochastic optimization, a type of stochastic optimization algorithm that contains two independent sources of randomness: The subsampling of training data and the Monte Carlo estimation of expectations. Such an optimization regime often has the issue of large gradient variance which would lead to a slow rate of convergence. Therefore we propose Dual Control Variate, a new type of control variate capable of reducing gradient variance from both sources jointly. The dual control variate is built upon approximation-based control variates and incremental gradient methods. We show that on doubly stochastic optimization problems, compared with past variance reduction approaches that take only one source of randomness into account, dual control variate leads to a gradient estimator of significant smaller variance and demonstrates superior performance on real-world applications, like generalized linear models with dropout and black-box variational inference.  ( 2 min )

In this work, we assess the ability of physics-informed neural networks (PINNs) to solve increasingly-complex coupled ordinary differential equations (ODEs). We focus on a pair of benchmarks: discretized partial differential equations and harmonic oscillators, each of which has a tunable parameter that controls its complexity. Even by varying network architecture and applying a state-of-the-art training method that accounts for "difficult" training regions, we show that PINNs eventually fail to produce correct solutions to these benchmarks as their complexity -- the number of equations and the size of time domain -- increases. We identify several reasons why this may be the case, including insufficient network capacity, poor conditioning of the ODEs, and high local curvature, as measured by the Laplacian of the PINN loss.

In this paper, we interpret disentanglement from the manifold perspective and trace how it naturally leads to a necessary and sufficient condition for disentanglement: the disentangled factors must commute with each other. Along the way, we show how some technical results have consequences for the compression and disentanglement of generative models, and we also discuss the practical and theoretical implications of commutativity. Finally, we conclude with a discussion of related approaches to disentanglement and how they relate to our view of disentanglement from the manifold perspective.

A grand goal in deep learning research is to learn representations capable of generalizing across distribution shifts. Disentanglement is one promising direction aimed at aligning a models representations with the underlying factors generating the data (e.g. color or background). Existing disentanglement methods, however, rely on an often unrealistic assumption: that factors are statistically independent. In reality, factors (like object color and shape) are correlated. To address this limitation, we propose a relaxed disentanglement criterion - the Hausdorff Factorized Support (HFS) criterion - that encourages a factorized support, rather than a factorial distribution, by minimizing a Hausdorff distance. This allows for arbitrary distributions of the factors over their support, including correlations between them. We show that the use of HFS consistently facilitates disentanglement and recovery of ground-truth factors across a variety of correlation settings and benchmarks, even under severe training correlations and correlation shifts, with in parts over +60% in relative improvement over existing disentanglement methods. In addition, we find that leveraging HFS for representation learning can even facilitate transfer to downstream tasks such as classification under distribution shifts. We hope our original approach and positive empirical results inspire further progress on the open problem of robust generalization.  ( 2 min )

Calorimeter simulation is the most computationally expensive part of Monte Carlo generation of samples necessary for analysis of experimental data at the Large Hadron Collider (LHC). The High-Luminosity upgrade of the LHC would require an even larger amount of such samples. We present a technique based on Discrete Variational Autoencoders (DVAEs) to simulate particle showers in Electromagnetic Calorimeters. We discuss how this work paves the way towards exploration of quantum annealing processors as sampling devices for generation of simulated High Energy Physics datasets.

Detecting anomalies from a series of temporal networks has many applications, including road accidents in transport networks and suspicious events in social networks. While there are many methods for network anomaly detection, statistical methods are under utilised in this space even though they have a long history and proven capability in handling temporal dependencies. In this paper, we introduce \textit{oddnet}, a feature-based network anomaly detection method that uses time series methods to model temporal dependencies. We demonstrate the effectiveness of oddnet on synthetic and real-world datasets. The R package oddnet implements this algorithm.

We study the computational complexity of the optimal transport problem that evaluates the Wasserstein distance between the distributions of two K-dimensional discrete random vectors. The best known algorithms for this problem run in polynomial time in the maximum of the number of atoms of the two distributions. However, if the components of either random vector are independent, then this number can be exponential in K even though the size of the problem description scales linearly with K. We prove that the described optimal transport problem is #P-hard even if all components of the first random vector are independent uniform Bernoulli random variables, while the second random vector has merely two atoms, and even if only approximate solutions are sought. We also develop a dynamic programming-type algorithm that approximates the Wasserstein distance in pseudo-polynomial time when the components of the first random vector follow arbitrary independent discrete distributions, and we identify special problem instances that can be solved exactly in strongly polynomial time.

It is well-known that modern neural networks are vulnerable to adversarial examples. To mitigate this problem, a series of robust learning algorithms have been proposed. However, although the robust training error can be near zero via some methods, all existing algorithms lead to a high robust generalization error. In this paper, we provide a theoretical understanding of this puzzling phenomenon from the perspective of expressive power for deep neural networks. Specifically, for binary classification problems with well-separated data, we show that, for ReLU networks, while mild over-parameterization is sufficient for high robust training accuracy, there exists a constant robust generalization gap unless the size of the neural network is exponential in the data dimension $d$. This result holds even if the data is linear separable (which means achieving standard generalization is easy), and more generally for any parameterized function classes as long as their VC dimension is at most polynomial in the number of parameters. Moreover, we establish an improved upper bound of $\exp({\mathcal{O}}(k))$ for the network size to achieve low robust generalization error when the data lies on a manifold with intrinsic dimension $k$ ($k \ll d$). Nonetheless, we also have a lower bound that grows exponentially with respect to $k$ -- the curse of dimensionality is inevitable. By demonstrating an exponential separation between the network size for achieving low robust training and generalization error, our results reveal that the hardness of robust generalization may stem from the expressive power of practical models.

This work presents a new class of variational family -- ergodic variational flows -- that not only enables tractable i.i.d. sampling and density evaluation, but also comes with MCMC-like convergence guarantees. Ergodic variational flows consist of a mixture of repeated applications of a measure-preserving and ergodic map to an initial reference distribution. We provide mild conditions under which the variational distribution converges weakly and in total variation to the target as the number of steps in the flow increases; this convergence holds regardless of the value of variational parameters, though different parameter values may result in faster or slower convergence. We develop a practical implementation of the flow family using Hamiltonian dynamics combined with deterministic momentum refreshment, including a tunable step size to optimize the trade-off between simulation fidelity and computational cost. Simulated and real data experiments provide an empirical verification of the convergence theory, and demonstrate that the method provides more reliable posterior approximations than several black-box normalizing flows, as well as samples of comparable quality to those obtained from state-of-the-art MCMC methods.

The scattering transform is a multilayered, wavelet-based transform initially introduced as a model of convolutional neural networks (CNNs) that has played a foundational role in our understanding of these networks' stability and invariance properties. Subsequently, there has been widespread interest in extending the success of CNNs to data sets with non-Euclidean structure, such as graphs and manifolds, leading to the emerging field of geometric deep learning. In order to improve our understanding of the architectures used in this new field, several papers have proposed generalizations of the scattering transform for non-Euclidean data structures such as undirected graphs and compact Riemannian manifolds without boundary. In this paper, we introduce a general, unified model for geometric scattering on measure spaces. Our proposed framework includes previous work on geometric scattering as special cases but also applies to more general settings such as directed graphs, signed graphs, and manifolds with boundary. We propose a new criterion that identifies to which groups a useful representation should be invariant and show that this criterion is sufficient to guarantee that the scattering transform has desirable stability and invariance properties. Additionally, we consider finite measure spaces that are obtained from randomly sampling an unknown manifold. We propose two methods for constructing a data-driven graph on which the associated graph scattering transform approximates the scattering transform on the underlying manifold. Moreover, we use a diffusion-maps based approach to prove quantitative estimates on the rate of convergence of one of these approximations as the number of sample points tends to infinity. Lastly, we showcase the utility of our method on spherical images, directed graphs, and on high-dimensional single-cell data.

Minimizing the inclusive Kullback-Leibler (KL) divergence with stochastic gradient descent (SGD) is challenging since its gradient is defined as an integral over the posterior. Recently, multiple methods have been proposed to run SGD with biased gradient estimates obtained from a Markov chain. This paper provides the first non-asymptotic convergence analysis of these methods by establishing their mixing rate and gradient variance. To do this, we demonstrate that these methods-which we collectively refer to as Markov chain score ascent (MCSA) methods-can be cast as special cases of the Markov chain gradient descent framework. Furthermore, by leveraging this new understanding, we develop a novel MCSA scheme, parallel MCSA (pMCSA), that achieves a tighter bound on the gradient variance. We demonstrate that this improved theoretical result translates to superior empirical performance.

Bayesian model comparison (BMC) offers a principled probabilistic approach to study and rank competing models. In standard BMC, we construct a discrete probability distribution over the set of possible models, conditional on the observed data of interest. These posterior model probabilities (PMPs) are measures of uncertainty, but, when derived from a finite number of observations, are also uncertain themselves. In this paper, we conceptualize distinct levels of uncertainty which arise in BMC. We explore a fully probabilistic framework for quantifying meta-uncertainty, resulting in an applied method to enhance any BMC workflow. Drawing on both Bayesian and frequentist techniques, we represent the uncertainty over the uncertain PMPs via meta-models which combine simulated and observed data into a predictive distribution for PMPs on new data. We demonstrate the utility of the proposed method in the context of conjugate Bayesian regression, likelihood-based inference with Markov chain Monte Carlo, and simulation-based inference with neural networks.

Uncertainty quantification is a key component of machine learning models targeted at safety-critical systems such as in healthcare or autonomous vehicles. We study this problem in the context of meta learning, where the goal is to quickly adapt a predictor to new tasks. In particular, we propose a novel algorithm to construct \emph{PAC prediction sets}, which capture uncertainty via sets of labels, that can be adapted to new tasks with only a few training examples. These prediction sets satisfy an extension of the typical PAC guarantee to the meta learning setting; in particular, the PAC guarantee holds with high probability over future tasks. We demonstrate the efficacy of our approach on four datasets across three application domains: mini-ImageNet and CIFAR10-C in the visual domain, FewRel in the language domain, and the CDC Heart Dataset in the medical domain. In particular, our prediction sets satisfy the PAC guarantee while having smaller size compared to other baselines that also satisfy this guarantee.

Modern approximations to Gaussian processes are suitable for "tall data", with a cost that scales well in the number of observations, but under-performs on ``wide data'', scaling poorly in the number of input features. That is, as the number of input features grows, good predictive performance requires the number of summarising variables, and their associated cost, to grow rapidly. We introduce a kernel that allows the number of summarising variables to grow exponentially with the number of input features, but requires only linear cost in both number of observations and input features. This scaling is achieved through our introduction of the B\'ezier buttress, which allows approximate inference without computing matrix inverses or determinants. We show that our kernel has close similarities to some of the most used kernels in Gaussian process regression, and empirically demonstrate the kernel's ability to scale to both tall and wide datasets.

Meta-learning hyperparameter optimization (HPO) algorithms from prior experiments is a promising approach to improve optimization efficiency over objective functions from a similar distribution. However, existing methods are restricted to learning from experiments sharing the same set of hyperparameters. In this paper, we introduce the OptFormer, the first text-based Transformer HPO framework that provides a universal end-to-end interface for jointly learning policy and function prediction when trained on vast tuning data from the wild, such as Google's Vizier database, one of the world's largest HPO datasets. Our extensive experiments demonstrate that the OptFormer can simultaneously imitate at least 7 different HPO algorithms, which can be further improved via its function uncertainty estimates. Compared to a Gaussian Process, the OptFormer also learns a robust prior distribution for hyperparameter response functions, and can thereby provide more accurate and better calibrated predictions. This work paves the path to future extensions for training a Transformer-based model as a general HPO optimizer.

We study the loss surface of DNNs with $L_{2}$ regularization. We show that the loss in terms of the parameters can be reformulated into a loss in terms of the layerwise activations $Z_{\ell}$ of the training set. This reformulation reveals the dynamics behind feature learning: each hidden representations $Z_{\ell}$ are optimal w.r.t. to an attraction/repulsion problem and interpolate between the input and output representations, keeping as little information from the input as necessary to construct the activation of the next layer. For positively homogeneous non-linearities, the loss can be further reformulated in terms of the covariances of the hidden representations, which takes the form of a partially convex optimization over a convex cone. This second reformulation allows us to prove a sparsity result for homogeneous DNNs: any local minimum of the $L_{2}$-regularized loss can be achieved with at most $N(N+1)$ neurons in each hidden layer (where $N$ is the size of the training set). We show that this bound is tight by giving an example of a local minimum that requires $N^{2}/4$ hidden neurons. But we also observe numerically that in more traditional settings much less than $N^{2}$ neurons are required to reach the minima.

Generative flow networks (GFNs) are a class of models for sequential sampling of composite objects, which approximate a target distribution that is defined in terms of an energy function or a reward. GFNs are typically trained using a flow matching or trajectory balance objective, which matches forward and backward transition models over trajectories. In this work, we define variational objectives for GFNs in terms of the Kullback-Leibler (KL) divergences between the forward and backward distribution. We show that variational inference in GFNs is equivalent to minimizing the trajectory balance objective when sampling trajectories from the forward model. We generalize this approach by optimizing a convex combination of the reverse- and forward KL divergence. This insight suggests variational inference methods can serve as a means to define a more general family of objectives for training generative flow networks, for example by incorporating control variates, which are commonly used in variational inference, to reduce the variance of the gradients of the trajectory balance objective. We evaluate our findings and the performance of the proposed variational objective numerically by comparing it to the trajectory balance objective on two synthetic tasks.

This work identifies the existence and cause of a type of posterior collapse that frequently occurs in the Bayesian deep learning practice. For a general linear latent variable model that includes linear variational autoencoders as a special case, we precisely identify the nature of posterior collapse to be the competition between the likelihood and the regularization of the mean due to the prior. Our result suggests that posterior collapse may be related to neural collapse and dimensional collapse and could be a subclass of a general problem of learning for deeper architectures.

Several studies have shown the ability of natural gradient descent to minimize the objective function more efficiently than ordinary gradient descent based methods. However, the bottleneck of this approach for training deep neural networks lies in the prohibitive cost of solving a large dense linear system corresponding to the Fisher Information Matrix (FIM) at each iteration. This has motivated various approximations of either the exact FIM or the empirical one. The most sophisticated of these is KFAC, which involves a Kronecker-factored block diagonal approximation of the FIM. With only a slight additional cost, a few improvements of KFAC from the standpoint of accuracy are proposed. The common feature of the four novel methods is that they rely on a direct minimization problem, the solution of which can be computed via the Kronecker product singular value decomposition technique. Experimental results on the three standard deep auto-encoder benchmarks showed that they provide more accurate approximations to the FIM. Furthermore, they outperform KFAC and state-of-the-art first-order methods in terms of optimization speed.

The recently proposed identifiable variational autoencoder (iVAE) framework provides a promising approach for learning latent independent components (ICs). iVAEs use auxiliary covariates to build an identifiable generation structure from covariates to ICs to observations, and the posterior network approximates ICs given observations and covariates. Though the identifiability is appealing, we show that iVAEs could have local minimum solution where observations and the approximated ICs are independent given covariates.-a phenomenon we referred to as the posterior collapse problem of iVAEs. To overcome this problem, we develop a new approach, covariate-informed iVAE (CI-iVAE) by considering a mixture of encoder and posterior distributions in the objective function. In doing so, the objective function prevents the posterior collapse, resulting latent representations that contain more information of the observations. Furthermore, CI-iVAEs extend the original iVAE objective function to a larger class and finds the optimal one among them, thus having tighter evidence lower bounds than the original iVAE. Experiments on simulation datasets, EMNIST, Fashion-MNIST, and a large-scale brain imaging dataset demonstrate the effectiveness of our new method.

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works. By applying change-of-variable, the solution can be equivalently simplified to an exponentially weighted integral of the neural network. Based on our formulation, we propose DPM-Solver, a fast dedicated high-order solver for diffusion ODEs with the convergence order guarantee. DPM-Solver is suitable for both discrete-time and continuous-time DPMs without any further training. Experimental results show that DPM-Solver can generate high-quality samples in only 10 to 20 function evaluations on various datasets. We achieve 4.70 FID in 10 function evaluations and 2.87 FID in 20 function evaluations on the CIFAR10 dataset, and a $4\sim 16\times$ speedup compared with previous state-of-the-art training-free samplers on various datasets.

We describe NTS-NOTEARS, a score-based structure learning method for time-series data to learn dynamic Bayesian networks (DBNs) that captures nonlinear, lagged (inter-slice) and instantaneous (intra-slice) relations among variables. NTS-NOTEARS utilizes 1D convolutional neural networks (CNNs) to model the dependence of child variables on their parents; 1D CNN is a neural function approximation model well-suited for sequential data. DBN-CNN structure learning is formulated as a continuous optimization problem with an acyclicity constraint, following the NOTEARS DAG learning approach. We show how prior knowledge of dependencies (e.g., forbidden and required edges) can be included as additional optimization constraints. Empirical evaluation on simulated and benchmark data show that NTS-NOTEARS achieves state-of-the-art DAG structure quality compared to both parametric and nonparametric baseline methods, with improvement in the range of 10-20% on the F1-score. We also evaluate NTS-NOTEARS on complex real-world data acquired from professional ice hockey games that contain a mixture of continuous and discrete variables.

Regularization is one of the most important topics in optimization, statistics and machine learning. To get sparsity in estimating a parameter $u\in\mbR^d$, an $\ell_q$ penalty term, $\Vert u\Vert_q$, is usually added to the objective function. What is the probabilistic distribution corresponding to such $\ell_q$ penalty? What is the correct stochastic process corresponding to $\Vert u\Vert_q$ when we model functions $u\in L^q$? This is important for statistically modeling large dimensional objects, e.g. images, with penalty to preserve certainty properties, e.g. edges in the image. In this work, we generalize the $q$-exponential distribution (with density proportional to) $\exp{(- \half|u|^q)}$ to a stochastic process named \emph{$Q$-exponential (Q-EP) process} that corresponds to the $L_q$ regularization of functions. The key step is to specify consistent multivariate $q$-exponential distributions by choosing from a large family of elliptic contour distributions. The work is closely related to Besov process which is usually defined by the expanded series. Q-EP can be regarded as a definition of Besov process with explicit probabilistic formulation and direct control on the correlation length. From the Bayesian perspective, Q-EP provides a flexible prior on functions with sharper penalty ($q<2$) than the commonly used Gaussian process (GP). We compare GP, Besov and Q-EP in modeling time series and reconstructing images and demonstrate the advantage of the proposed methodology.

In this paper, we are concerned with a non-asymptotic analysis of sampling algorithms used in nonconvex optimization. In particular, we obtain non-asymptotic estimates in Wasserstein-1 and Wasserstein-2 distances for a popular class of algorithms called Stochastic Gradient Langevin Dynamics (SGLD). In addition, the aforementioned Wasserstein-2 convergence result can be applied to establish a non-asymptotic error bound for the expected excess risk. Crucially, these results are obtained under a local Lipschitz condition and a local dissipativity condition where we remove the uniform dependence in the data stream. We illustrate the importance of this relaxation by presenting examples from variational inference and from index tracking optimization.

Sarcasm Detection has enjoyed great interest from the research community, however the task of predicting sarcasm in a text remains an elusive problem for machines. Past studies mostly make use of twitter datasets collected using hashtag based supervision but such datasets are noisy in terms of labels and language. To overcome these shortcoming, we introduce a new dataset which contains news headlines from a sarcastic news website and a real news website. Next, we propose a hybrid Neural Network architecture with attention mechanism which provides insights about what actually makes sentences sarcastic. Through experiments, we show that the proposed model improves upon the baseline by ~ 5% in terms of classification accuracy.

To explain the decision of any model, we extend the notion of probabilistic Sufficient Explanations (P-SE). For each instance, this approach selects the minimal subset of features that is sufficient to yield the same prediction with high probability, while removing other features. The crux of P-SE is to compute the conditional probability of maintaining the same prediction. Therefore, we introduce an accurate and fast estimator of this probability via random Forests for any data $(\boldsymbol{X}, Y)$ and show its efficiency through a theoretical analysis of its consistency. As a consequence, we extend the P-SE to regression problems. In addition, we deal with non-discrete features, without learning the distribution of $\boldsymbol{X}$ nor having the model for making predictions. Finally, we introduce local rule-based explanations for regression/classification based on the P-SE and compare our approaches w.r.t other explainable AI methods. These methods are available as a Python package at \url{www.github.com/salimamoukou/acv00}.

Binned scatter plots, or binscatters, have become a popular and convenient tool in applied microeconomics for visualizing bivariate relations and conducting informal specification testing. However, a binscatter, on its own, is very limited in what it can characterize about the conditional mean. We introduce a suite of formal and visualization tools based on binned scatter plots to restore, and in some dimensions surpass, the visualization benefits of the classical scatter plot. We deliver a comprehensive toolkit for applications, including estimation of conditional mean and quantile functions, visualization of variance and precise quantification of uncertainty, and formal tests of substantive hypotheses such as linearity or monotonicity, and an extension to testing differences across groups. To do so we give an extensive theoretical analysis of binscatter and related partition-based methods, accommodating nonlinear and potentially nonsmooth models, which allows us to treat binary, count, and other discrete outcomes as well. We also correct a methodological mistake related to covariate adjustment present in prior implementations, which yields an incorrect shape and support of the conditional mean. All of our results are implemented in publicly available software, and showcased with three substantive empirical illustrations. Our empirical results are dramatically different when compared to those obtained using the prevalent methods in the literature.

In this work, we study data-driven decision-making and depart from the classical identically and independently distributed (i.i.d.) assumption. We present a new framework in which historical samples are generated from unknown and different distributions, which we dub heterogeneous environments. These distributions are assumed to lie in a heterogeneity ball with known radius and centered around the (also) unknown future (out-of-sample) distribution on which the performance of a decision will be evaluated. We quantify the asymptotic worst-case regret that is achievable by central data-driven policies such as Sample Average Approximation, but also by rate-optimal ones, as a function of the radius of the heterogeneity ball. Our work shows that the type of achievable performance varies considerably across different combinations of problem classes and notions of heterogeneity. We demonstrate the versatility of our framework by comparing achievable guarantees for the heterogeneous version of widely studied data-driven problems such as pricing, ski-rental, and newsvendor. En route, we establish a new connection between data-driven decision-making and distributionally robust optimization.

Recent advances in classical machine learning have shown that creating models with inductive biases encoding the symmetries of a problem can greatly improve performance. Importation of these ideas, combined with an existing rich body of work at the nexus of quantum theory and symmetry, has given rise to the field of Geometric Quantum Machine Learning (GQML). Following the success of its classical counterpart, it is reasonable to expect that GQML will play a crucial role in developing problem-specific and quantum-aware models capable of achieving a computational advantage. Despite the simplicity of the main idea of GQML -- create architectures respecting the symmetries of the data -- its practical implementation requires a significant amount of knowledge of group representation theory. We present an introduction to representation theory tools from the optics of quantum learning, driven by key examples involving discrete and continuous groups. These examples are sewn together by an exposition outlining the formal capture of GQML symmetries via "label invariance under the action of a group representation", a brief (but rigorous) tour through finite and compact Lie group representation theory, a reexamination of ubiquitous tools like Haar integration and twirling, and an overview of some successful strategies for detecting symmetries.

Randomized experiments (a.k.a. A/B tests) are a powerful tool for estimating treatment effects, to inform decisions making in business, healthcare and other applications. In many problems, the treatment has a lasting effect that evolves over time. A limitation with randomized experiments is that they do not easily extend to measure long-term effects, since running long experiments is time-consuming and expensive. In this paper, we take a reinforcement learning (RL) approach that estimates the average reward in a Markov process. Motivated by real-world scenarios where the observed state transition is nonstationary, we develop a new algorithm for a class of nonstationary problems, and demonstrate promising results in two synthetic datasets and one online store dataset.

This paper revisits the bandit problem in the Bayesian setting. The Bayesian approach formulates the bandit problem as an optimization problem, and the goal is to find the optimal policy which minimizes the Bayesian regret. One of the main challenges facing the Bayesian approach is that computation of the optimal policy is often intractable, especially when the length of the problem horizon or the number of arms is large. In this paper, we first show that under a suitable rescaling, the Bayesian bandit problem converges to a continuous Hamilton-Jacobi-Bellman (HJB) equation. The optimal policy for the limiting HJB equation can be explicitly obtained for several common bandit problems, and we give numerical methods to solve the HJB equation when an explicit solution is not available. Based on these results, we propose an approximate Bayes-optimal policy for solving Bayesian bandit problems with large horizons. Our method has the added benefit that its computational cost does not increase as the horizon increases.

Unsupervised mixture learning (UML) aims at identifying linearly or nonlinearly mixed latent components in a blind manner. UML is known to be challenging: Even learning linear mixtures requires highly nontrivial analytical tools, e.g., independent component analysis or nonnegative matrix factorization. In this work, the post-nonlinear (PNL) mixture model -- where unknown element-wise nonlinear functions are imposed onto a linear mixture -- is revisited. The PNL model is widely employed in different fields ranging from brain signal classification, speech separation, remote sensing, to causal discovery. To identify and remove the unknown nonlinear functions, existing works often assume different properties on the latent components (e.g., statistical independence or probability-simplex structures). This work shows that under a carefully designed UML criterion, the existence of a nontrivial null space associated with the underlying mixing system suffices to guarantee identification/removal of the unknown nonlinearity. Compared to prior works, our finding largely relaxes the conditions of attaining PNL identifiability, and thus may benefit applications where no strong structural information on the latent components is known. A finite-sample analysis is offered to characterize the performance of the proposed approach under realistic settings. To implement the proposed learning criterion, a block coordinate descent algorithm is proposed. A series of numerical experiments corroborate our theoretical claims.

The quality of many modern machine learning models improves as model complexity increases, an effect that has been quantified, for predictive performance, with the non-monotonic double descent learning curve. Here, we address the overarching question: is there an analogous theory of double descent for models which estimate uncertainty? We provide a partially affirmative and partially negative answer in the setting of Gaussian processes (GP). Under standard assumptions, we prove that higher model quality for optimally-tuned GPs (including uncertainty prediction) under marginal likelihood is realized for larger input dimensions, and therefore exhibits a monotone error curve. After showing that marginal likelihood does not naturally exhibit double descent in the input dimension, we highlight related forms of posterior predictive loss that do exhibit non-monotonicity. Finally, we verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.

We provide the first complete continuous time framework for denoising diffusion models of discrete data. This is achieved by formulating the forward noising process and corresponding reverse time generative process as Continuous Time Markov Chains (CTMCs). The model can be efficiently trained using a continuous time version of the ELBO. We simulate the high dimensional CTMC using techniques developed in chemical physics and exploit our continuous time framework to derive high performance samplers that we show can outperform discrete time methods for discrete data. The continuous time treatment also enables us to derive a novel theoretical result bounding the error between the generated sample distribution and the true data distribution.

The following work is a preprint collection of formal proofs regarding the convergence properties of the AdaBoost machine learning algorithm's classifier and margins. Various math and computer science papers have been written regarding conjectures and special cases of these convergence properties. Furthermore, the margins of AdaBoost feature prominently in the research surrounding the algorithm. At the zenith of this paper we present how AdaBoost's classifier and margins converge on a value that agrees with decades of research. After this, we show how various quantities associated with the combined classifier converge.

It is challenging to guide neural network (NN) learning with prior knowledge. In contrast, many known properties, such as spatial smoothness or seasonality, are straightforward to model by choosing an appropriate kernel in a Gaussian process (GP). Many deep learning applications could be enhanced by modeling such known properties. For example, convolutional neural networks (CNNs) are frequently used in remote sensing, which is subject to strong seasonal effects. We propose to blend the strengths of deep learning and the clear modeling capabilities of GPs by using a composite kernel that combines a kernel implicitly defined by a neural network with a second kernel function chosen to model known properties (e.g., seasonality). We implement this idea by combining a deep network and an efficient mapping based on the Nystrom approximation, which we call Implicit Composite Kernel (ICK). We then adopt a sample-then-optimize approach to approximate the full GP posterior distribution. We demonstrate that ICK has superior performance and flexibility on both synthetic and real-world data sets. We believe that ICK framework can be used to include prior information into neural networks in many applications.

Traditional models of active learning assume a learner can directly manipulate or query a covariate $X$ in order to study its relationship with a response $Y$. However, if $X$ is a feature of a complex system, it may be possible only to indirectly influence $X$ by manipulating a control variable $Z$, a scenario we refer to as Indirect Active Learning. Under a nonparametric model of Indirect Active Learning with a fixed budget, we study minimax convergence rates for estimating the relationship between $X$ and $Y$ locally at a point, obtaining different rates depending on the complexities and noise levels of the relationships between $Z$ and $X$ and between $X$ and $Y$. We also identify minimax rates for passive learning under comparable assumptions. In many cases, our results show that, while there is an asymptotic benefit to active learning, this benefit is fully realized by a simple two-stage learner that runs two passive experiments in sequence.

Minimum Description Length (MDL) provides a framework and an objective for principled model evaluation. It formalizes Occam's Razor and can be applied to data from non-stationary sources. In the prequential formulation of MDL, the objective is to minimize the cumulative next-step log-loss when sequentially going through the data and using previous observations for parameter estimation. It thus closely resembles a continual- or online-learning problem. In this study, we evaluate approaches for computing prequential description lengths for image classification datasets with neural networks. Considering the computational cost, we find that online-learning with rehearsal has favorable performance compared to the previously widely used block-wise estimation. We propose forward-calibration to better align the models predictions with the empirical observations and introduce replay-streams, a minibatch incremental training technique to efficiently implement approximate random replay while avoiding large in-memory replay buffers. As a result, we present description lengths for a suite of image classification datasets that improve upon previously reported results by large margins.

Calibrated probabilistic classifiers are models whose predicted probabilities can directly be interpreted as uncertainty estimates. It has been shown recently that deep neural networks are poorly calibrated and tend to output overconfident predictions. As a remedy, we propose a low-bias, trainable calibration error estimator based on Dirichlet kernel density estimates, which asymptotically converges to the true $L_p$ calibration error. This novel estimator enables us to tackle the strongest notion of multiclass calibration, called canonical (or distribution) calibration, while other common calibration methods are tractable only for top-label and marginal calibration. The computational complexity of our estimator is $\mathcal{O}(n^2)$, the convergence rate is $\mathcal{O}(n^{-1/2})$, and it is unbiased up to $\mathcal{O}(n^{-2})$, achieved by a geometric series debiasing scheme. In practice, this means that the estimator can be applied to small subsets of data, enabling efficient estimation and mini-batch updates. The proposed method has a natural choice of kernel, and can be used to generate consistent estimates of other quantities based on conditional expectation, such as the sharpness of a probabilistic classifier. Empirical results validate the correctness of our estimator, and demonstrate its utility in canonical calibration error estimation and calibration error regularized risk minimization.

The No Unmeasured Confounding Assumption is widely used to identify causal effects in observational studies. Recent work on proximal inference has provided alternative identification results that succeed even in the presence of unobserved confounders, provided that one has measured a sufficiently rich set of proxy variables, satisfying specific structural conditions. However, proximal inference requires solving an ill-posed integral equation. Previous approaches have used a variety of machine learning techniques to estimate a solution to this integral equation, commonly referred to as the bridge function. However, prior work has often been limited by relying on pre-specified kernel functions, which are not data adaptive and struggle to scale to large datasets. In this work, we introduce a flexible and scalable method based on a deep neural network to estimate causal effects in the presence of unmeasured confounding using proximal inference. Our method achieves state of the art performance on two well-established proximal inference benchmarks. Finally, we provide theoretical consistency guarantees for our method.

The need for function estimation in label-limited settings is common in the natural sciences. At the same time, prior knowledge of function values is often available in these domains. For example, data-free biophysics-based models can be informative on protein properties, while quantum-based computations can be informative on small molecule properties. How can we coherently leverage such prior knowledge to help improve a neural network model that is quite accurate in some regions of input space -- typically near the training data -- but wildly wrong in other regions? Bayesian neural networks (BNN) enable the user to specify prior information only on the neural network weights, not directly on the function values. Moreover, there is in general no clear mapping between these. Herein, we tackle this problem by developing an approach to augment BNNs with prior information on the function values themselves. Our probabilistic approach yields predictions that rely more heavily on the prior information when the epistemic uncertainty is large, and more heavily on the neural network when the epistemic uncertainty is small.

In this paper, we explore the limitations of PCA as a dimension reduction technique and study its extension, projection pursuit (PP), which is a broad class of linear dimension reduction methods. We first discuss the relevant concepts and theorems and then apply PCA and PP (with negative standardized Shannon's entropy as the projection index) on single cell RNA sequencing data.

Adaptive algorithms like AdaGrad and AMSGrad are successful in nonconvex optimization owing to their parameter-agnostic ability -- requiring no a priori knowledge about problem-specific parameters nor tuning of learning rates. However, when it comes to nonconvex minimax optimization, direct extensions of such adaptive optimizers without proper time-scale separation may fail to work in practice. We provide such an example proving that the simple combination of Gradient Descent Ascent (GDA) with adaptive stepsizes can diverge if the primal-dual stepsize ratio is not carefully chosen; hence, a fortiori, such adaptive extensions are not parameter-agnostic. To address the issue, we formally introduce a Nested Adaptive framework, NeAda for short, that carries an inner loop for adaptively maximizing the dual variable with controllable stopping criteria and an outer loop for adaptively minimizing the primal variable. Such mechanism can be equipped with off-the-shelf adaptive optimizers and automatically balance the progress in the primal and dual variables. Theoretically, for nonconvex-strongly-concave minimax problems, we show that NeAda can achieve the near-optimal $\tilde{O}(\epsilon^{-2})$ and $\tilde{O}(\epsilon^{-4})$ gradient complexities respectively in the deterministic and stochastic settings, without prior information on the problem's smoothness and strong concavity parameters. To the best of our knowledge, this is the first algorithm that simultaneously achieves near-optimal convergence rates and parameter-agnostic adaptation in the nonconvex minimax setting. Numerically, we further illustrate the robustness of the NeAda family with experiments on simple test functions and a real-world application.

Low-order functional ANOVA (fANOVA) models have been rediscovered in the machine learning (ML) community under the guise of inherently interpretable machine learning. Explainable Boosting Machines or EBM (Lou et al. 2013) and GAMI-Net (Yang et al. 2021) are two recently proposed ML algorithms for fitting functional main effects and second-order interactions. We propose a new algorithm, called GAMI-Tree, that is similar to EBM, but has a number of features that lead to better performance. It uses model-based trees as base learners and incorporates a new interaction filtering method that is better at capturing the underlying interactions. In addition, our iterative training method converges to a model with better predictive performance, and the embedded purification ensures that interactions are hierarchically orthogonal to main effects. The algorithm does not need extensive tuning, and our implementation is fast and efficient. We use simulated and real datasets to compare the performance and interpretability of GAMI-Tree with EBM and GAMI-Net.

In this paper, we investigate Nash-regret minimization in congestion games, a class of games with benign theoretical structure and broad real-world applications. We first propose a centralized algorithm based on the optimism in the face of uncertainty principle for congestion games with (semi-)bandit feedback, and obtain finite-sample guarantees. Then we propose a decentralized algorithm via a novel combination of the Frank-Wolfe method and G-optimal design. By exploiting the structure of the congestion game, we show the sample complexity of both algorithms depends only polynomially on the number of players and the number of facilities, but not the size of the action set, which can be exponentially large in terms of the number of facilities. We further define a new problem class, Markov congestion games, which allows us to model the non-stationarity in congestion games. We propose a centralized algorithm for Markov congestion games, whose sample complexity again has only polynomial dependence on all relevant problem parameters, but not the size of the action set.

Generative models are designed to address the data scarcity problem. Even with the exploding amount of data, due to computational advancements, some applications (e.g., health care, weather forecast, fault detection) still suffer from data insufficiency, especially in the time-series domain. Thus generative models are essential and powerful tools, but they still lack a consensual approach for quality assessment. Such deficiency hinders the confident application of modern implicit generative models on time-series data. Inspired by assessment methods on the image domain, we introduce the InceptionTime Score (ITS) and the Frechet InceptionTime Distance (FITD) to gauge the qualitative performance of class conditional generative models on the time-series domain. We conduct extensive experiments on 80 different datasets to study the discriminative capabilities of proposed metrics alongside two existing evaluation metrics: Train on Synthetic Test on Real (TSTR) and Train on Real Test on Synthetic (TRTS). Extensive evaluation reveals that the proposed assessment method, i.e., ITS and FITD in combination with TSTR, can accurately assess class-conditional generative model performance.

Identification theory for causal effects in causal models associated with hidden variable directed acyclic graphs (DAGs) is well studied. However, the corresponding algorithms are underused due to the complexity of estimating the identifying functionals they output. In this work, we bridge the gap between identification and estimation of population-level causal effects involving a single treatment and a single outcome. We derive influence function based estimators that exhibit double robustness for the identified effects in a large class of hidden variable DAGs where the treatment satisfies a simple graphical criterion; this class includes models yielding the adjustment and front-door functionals as special cases. We also provide necessary and sufficient conditions under which the statistical model of a hidden variable DAG is nonparametrically saturated and implies no equality constraints on the observed data distribution. Further, we derive an important class of hidden variable DAGs that imply observed data distributions observationally equivalent (up to equality constraints) to fully observed DAGs. In these classes of DAGs, we derive estimators that achieve the semiparametric efficiency bounds for the target of interest where the treatment satisfies our graphical criterion. Finally, we provide a sound and complete identification algorithm that directly yields a weight based estimation strategy for any identifiable effect in hidden variable causal models.

To understand the potential of intelligent confirmatory tools, the U.S. Nuclear Regulatory Committee (NRC) initiated a future-focused research project to assess the regulatory viability of machine learning (ML) and artificial intelligence (AI)-driven Digital Twins (DTs) for nuclear power applications. Advanced accident tolerant fuel (ATF) is one of the priority focus areas of the U.S. Department of Energy (DOE). A DT framework can offer game-changing yet practical and informed solutions to the complex problem of qualifying advanced ATFs. Considering the regulatory standpoint of the modeling and simulation (M&S) aspect of DT, uncertainty quantification and sensitivity analysis are paramount to the DT framework's success in terms of multi-criteria and risk-informed decision-making. This chapter introduces the ML-based uncertainty quantification and sensitivity analysis methods while exhibiting actual applications to the finite element-based nuclear fuel performance code BISON.

We consider the combinatorial bandits problem with semi-bandit feedback under finite sampling budget constraints, in which the learner can carry out its action only for a limited number of times specified by an overall budget. The action is to choose a set of arms, whereupon feedback for each arm in the chosen set is received. Unlike existing works, we study this problem in a non-stochastic setting with subset-dependent feedback, i.e., the semi-bandit feedback received could be generated by an oblivious adversary and also might depend on the chosen set of arms. In addition, we consider a general feedback scenario covering both the numerical-based as well as preference-based case and introduce a sound theoretical framework for this setting guaranteeing sensible notions of optimal arms, which a learner seeks to find. We suggest a generic algorithm suitable to cover the full spectrum of conceivable arm elimination strategies from aggressive to conservative. Theoretical questions about the sufficient and necessary budget of the algorithm to find the best arm are answered and complemented by deriving lower bounds for any learning algorithm for this problem scenario.

As Gaussian processes mature, they are increasingly being deployed as part of larger machine learning and decision-making systems, for instance in geospatial modeling, Bayesian optimization, or in latent Gaussian models. Within a system, the Gaussian process model needs to perform in a stable and reliable manner to ensure it interacts correctly with other parts the system. In this work, we study the numerical stability of scalable sparse approximations based on inducing points. We derive sufficient and in certain cases necessary conditions on the inducing points for the computations performed to be numerically stable. For low-dimensional tasks such as geospatial modeling, we propose an automated method for computing inducing points satisfying these conditions. This is done via a modification of the cover tree data structure, which is of independent interest. We additionally propose an alternative sparse approximation for regression with a Gaussian likelihood which trades off a small amount of performance to further improve stability. We evaluate the proposed techniques on a number of examples, showing that, in geospatial settings, sparse approximations with guaranteed numerical stability often perform comparably to those without.

Blockchain technology is new and has been around for only about a decade, it has earned widespread popularity across the globe. Off late, blockchain has been accepted across industry sectors as a disruptive technology that helps better business processes. Initially found as a technology to keep digital monetary transactions safe and tamper-proof, the technology has… Read More »Top 5 Blockchain Certifications to Enhance your Job-Readiness The post Top 5 Blockchain Certifications to Enhance your Job-Readiness appeared first on Data Science Central.  ( 20 min )

I liked the flat fees of Colab Pro and Pro+. Maybe this new system is even cheaper for me, but there's something psychological about having to pay for credits instead of a flat fee that I don't like. I've heard Paperspace is good but the storage is expensive. What cheap/free alternatives are there? submitted by /u/zuccoff [link] [comments]  ( 126 min )

An algorithmic trading technique is a type of financial transaction that uses pre-designed trading guidelines to perform orders. It is commonly utilized to trade against human brokers. This type of trading utilizes a PC's computing power and speed to achieve its goals. The post How to Use Algorithmic Trading Bots appeared first on Data Science Central.  ( 20 min )

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Hi there - I am doing some research for a school project, I am talking about and demonstrating how diffrent models work. I am at the point that if I train a model off of a dataset, it will only be as good as the dataset and will be immideatly the same level as the dataset. What I want to achieve is to create an agent, it makes moves off of random bias, then depending on the game outcome, change the bias (a generational AI). I have done some searching online and virtually no one has done this approche before. I idealy want to show both models competing against each other at the same level and show that both agents have a learning curve. I know how to setup the game to play off of a dataset, but I dont know how to approch my idea. How can I setup agents that are initially random bias, and only do a move that is within a pre make list of possible moves. Any ideas where to start/how to approch my idea? submitted by /u/Thomassey476 [link] [comments]  ( 112 min )

Hi there, I was wondering what everyone thinks are the most interesting areas of discussion/ concern and topics in the space of Ethical/ Responsible/ trustworthy AI... This could be industry specific or more general X industry. Equally societal / political/ economic concerns are just as relevant. There's an increasing amount of noise in the space from 'specialists', industry and gov... but what do people think about it and what is most relevant? submitted by /u/AI-wonderer [link] [comments]  ( 117 min )

I'm new to diffusion model but I've used few times GANs for sim2real domain adaptation. Now I'm wondering if there is already some project on this topic with diffusion models that might show better performance. submitted by /u/riccardogauss [link] [comments]  ( 113 min )

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I hope what I am about to ask is not a stupid question. When a problem is given and it has to be solved by ai, is it possible to deduce beforehand, i.e. just by seeing the problem, whether it is computatable intractability ? I've looked it up on the internet and watched youtube videos, but its not clear to me. What to look out for to draw that conclusion. For example: should the sequence be ascending or descending? I hope someone can help me with this submitted by /u/FluidWrap3064 [link] [comments]  ( 114 min )

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submitted by /u/GlendInc [link] [comments]  ( 115 min )

submitted by /u/GlendInc [link] [comments]  ( 112 min )

When I search the internet I get either simple answers that don't actually explain how the brain of the AI creates the art or complicated mathematical explanations that aren't helping me. What exactly is happening when an AI is drawing an image? Please link to any good videos that will help me understand. Thanks submitted by /u/daveisit [link] [comments]  ( 112 min )

Hello everyone. I am using OpenAI's Whisper to generate subtitles for my lecture videos. I even have a detailed tutorial programming video regarding that. However, Whisper fails to generate punctuated text in many cases. I have opened a bug report in their GitHub repository but even the authors doesn't have a solution for this problem yet > https://github.com/openai/whisper/discussions/194 The Whisper works so well other than punctuation. So I am looking for a model to punctuate the text generated by Whisper. So are there any model that can auto punctuate given English text? submitted by /u/CeFurkan [link] [comments]  ( 125 min )

A big part of my PhD thesis was developing a machine learning software that gained quite a few users. It’s all on GitHub. I pride myself in that creation because others are actively using it for their research. I therefore wanna get a quick citable object for the software, and decided to go for an open source software journal like Journal of Open Source Software (JOSS) or Journal of Open Research Software (JORS). These journals do not want to review scientific discoveries, but instead the quality of your software (code quality, documentation availability, and automated testing). One reason my software is so popular is because of these things - it’s so reliable, and I put a lot of time into perfecting those software functionalities. I therefore want a journal that focuses on the quality of the software instead of the science, which in most cases is bullshit and not reproducible thanks to shitty software. My advisor, on the other hand, doesn’t find reliable software interesting and wants me to cram the paper into a more scientific journal where it doesn’t belong. Multiple papers have already been published in scientific journals using my software, and that’s good enough for me. Anyways, what are peoples opinions on the open source software journals? I think they are very reliable and ensure that software quality has passed some sort of check. My advisor seems to think they are scam journals (even though they’re free, lol…) If you get a ton of citations, who cares what journal it’s in? submitted by /u/qpzd [link] [comments]  ( 139 min )

Help me here: I'm confused. If the breast tissue scan project is so run-of-the-mill that it's used in a huge number of average undergrad courses, why is it still so under used in the real-world? Maybe it's ubiquitous, and I'm just an idiot. That is most probable. My local clinic does not use AI to read an MRI. It's just a person in a white coat squinting at his monitor. submitted by /u/Overall-Importance54 [link] [comments]  ( 126 min )

I am currently working on a ranking problem. We want to incorporate dislike information into our platform, i.e. if a video will be disliked, we want to move it further down. Now there are two ways of doing this - one is to create a general algorithm that predicts whether a video will be highly disliked and use this information to rerank the videos that are recommended. Another is to create a personalised algorithm, i.e. downrank any video that we feel might be disliked by the user. I'm wondering what analysis I should do to make a case for one over the other. There's a case to be made for both. If you go with 1 you can argue that any highly disliked video should be downranked. If you go with 2 you can argue dislikes are subjective. Similarly we also need to somehow prove whether something will work. Is it even possible to predict whether a video will be highly disliked ? Is it possible to predict what a user will dislike (instinctively yes but how to prove it with data) ? submitted by /u/retardBlue [link] [comments]  ( 130 min )

submitted by /u/Greedy_Childhood8732 [link] [comments]  ( 120 min )

submitted by /u/jsonathan [link] [comments]  ( 129 min )

I would like to share BFAS with you. BFAS is a neural architecture search package that uses random search on pre-defined parameter space. You can add your custom rules such as "Find networks that have higher than 25 fps.", Find networks that have lower than 10 GMACs." etc. Search results can be logged to W&B or tensorboard. I hope, it will be helpful for everybody. Any contributions you make are greatly appreciated! https://github.com/m-pektas/BFAS submitted by /u/m-pektas [link] [comments]  ( 121 min )

I'm new to diffusion model but I've used few times GANs for sim2real domain adaptation. Now I'm wondering if there is already some project on this topic with diffusion models that might show better performance. submitted by /u/riccardogauss [link] [comments]  ( 128 min )

submitted by /u/walt74 [link] [comments]  ( 122 min )

Help with the choice of gpu for ML tasks. Which graphics card is better - RTX 2080 Ti (11 Gb) or RTX 3060 (12 Gb)? submitted by /u/denisn03 [link] [comments]  ( 124 min )

submitted by /u/Snoo_64233 [link] [comments]  ( 126 min )

I know that RL has shown very promising results in playing games and I have also seen a lot of repos applying it in a finance context (e.g trading bots). I work for a start-up that operates in a highly competitive market where there is no product differentiation so price is pretty much the only thing that matters. ​ The vast majority of our sales are done on this price comparison website where you can see the prices offered but different companies. Right now we set our prices using linear programming. So everyday we get a large dataset from the price comparison website where we can see the prices of all firms and the corresponding rank (from the previous day). Using this data and some forecast for what our competitors prices will be tomorrow, we set up a LP problem where we try to maximise revenue subject to margin and rank constraints (price being our decision variable). While this has been working ok, I was thinking about this from a RL perspective. ​ So the agent would have a continuous action space (prices) and the states would be the prices of the competitors today and the agent would then try to choose actions in order to obtain the highest rank tomorrow (so the higher the rank the higher the reward). Obviously there is a lot more to the problem but I was just wondering if there is any research done on similar use-cases. I studied RL many years ago so I am a bit rusty. Basically I am looking for something remotely similar to my environment (anything that isn't some form of board game). ​ Any suggestions or comments are much appreciated! submitted by /u/ishotdesheriff [link] [comments]  ( 118 min )

Hi all, I have a very simple task. That is training the street fighter champion edition 2 (The one in gym retro) Ryu to get a good score in one particular round. In 1 round, I mean just the score when ryu defeats his opponent once. The reward function is 2*[Damage done] - Damage taken. If he wins, he gets +1 reward and if he loses, he gets -0.5. This means reward ranges from ~ -1.5 to 3. When I performed the training using multiple environments, the stable baseline log shows the following: It is minimising the reward rather than maximising it. How can this even be allowed to happen in stable baseline3? https://preview.redd.it/9609lityr3u91.png?width=516&format=png&auto=webp&s=c3ebab04c139922e7f3da44d60b90e42156010c3 This is the explained variance, as you can see, it is increasing positively, Is there some problem with stable baseline3? Anyone had such experiences and how did you overcome it? submitted by /u/Playful_Shop_8165 [link] [comments]  ( 123 min )

DISCLAIMER: I AM UNDER NO DELUSION THAT MY BOT WILL WORK AND MAKE ME RICH. FUCK THE HATERS I built a gym environment for which each observation is a 1x65 array. The first two entries in the array are my USD balance and BTC balance from my account. The next 60 numbers come from 1 min, 1 hr, 6 hr, etc time intervals that give me info about things like price and volume. The final 3 numbers are ratios such as ((1 min volume)/(6hr volume)). I plan on making calls every 30sec to update the values in the array, but am open to suggestions regarding frequency, especially if reasoning is provided with suggestions. I have a class that handles a fake crypto wallet, and another class that handles fake trades. During training I intend to use these classes to replace the first 2 numbers in the array (USD balance and BTC balance) with the fake numbers, and any time an action is called it will fire off fake trades that will then update the fake balance numbers. The only difference between the training array and the live array will be that the first two numbers are fake. My questions: Suppose that the code to send real trades is called SendRealBuy() and the code to send fake trades is called SendFakeBuy()... Is it true that during training I only need to change the code in the "if" statements within my step function? Will it mess up my model to change the step function between training and being live? Would it be better to define one episode as a full trade (buy, wait, sell) or to have each episode be a set time length and leave the number of full trades up to the model? Is it okay that my reset function does not actually reset anything? I don't have an initial state, just the current array. I intend to use DQN, is there an algorithm that is better suited? Thanks for any advice. submitted by /u/Magnus14736251 [link] [comments]  ( 121 min )

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Hi, I possess this problem: AttributeError: module 'ale_py.gym' has no attribute 'ALGymEnv' I was trying‏‏‎‏‏‎‏‏‎‏‏‎­to solve this some time now. I have no idea what should I do, thanks for any tips! submitted by /u/hocobozos [link] [comments]  ( 117 min )

I'm trying to make an environment where my agent needs to navigate through a continuous space (using a continuous action space) to get to a target location. Currently, I spawn the agent and the target location at some random position within predefined location constraints at the start of each episode and let the agent go ham on the environment for up to a fixed number of steps. The reward at each step is a function of the current distance of the agent from the target location. I've tried training several models from Stable Baselines 3 (TD3, DDPG, PPO, etc.) for varying timesteps. Still, none of them has been able to learn to navigate to the target successfully. For the observation, I've tried giving both the offset of the agent from the target location, as well as the two locations individually. At this point, I'm wondering if the task is too difficult (or abstract) for the agent to learn. Is there an intermediate task that I can train the agent on first and then transfer to this task? Would it be a good idea to fix the spawn and target locations across episodes while the agent hasn't reached the target location? I eventually still need the agent to be able to handle random spawn locations. submitted by /u/dkapur17 [link] [comments]  ( 124 min )

If I'd be more concrete, my questions rise from: MSE can be very unstable at off-policy policy evaluation. Compared with the Monte-carlo estimate (with GAE, if possible), the fitted Q function by minimizing MSE can generalize poorly. Why SAC doesn't take more Q-value fitting steps before the policy improvement? In actor critic methods, it seems that different methods have their own dominance, for instance, the quality of the advantage estimate in PPO can affect the policy improvement far more, whereas in SAC, the policy improvement step dominates more (why not take more evaluation steps?). In this scenario, how to balance the other weak end leaves a room for further improvement, such as more efficient loss function for PPO or evaluation method for SAC. submitted by /u/OutOfCharm [link] [comments]  ( 118 min )

I experimented with RL after college and threw together a tic-tac-toe program based on a section in the Sutton and Barto text. I eventually implemented an evolutionary algorithm to generalize from a small number of states. I apologize for the messiness of the code. I put this together during the free time I had between graduating and starting my job (I was actually on a plane the last time I worked on this). I just wanted make a post in case someone finds anything interesting in my approach. The repo can be found here. submitted by /u/TuringShannon [link] [comments]  ( 117 min )

Can anyone explain this paper to me? I tried to read it and also watched the video, I still don't get it. submitted by /u/Even_Campaign7385 [link] [comments]  ( 126 min )

GANs appear to have been supplanted by diffusion models. What do you think? submitted by /u/teraRockstar [link] [comments]  ( 122 min )

We are trying to standardize a long list (in millions) of company name strings. The same company can show up in different rows because of abbreviations, nicknames, subsidiaries, business units, typos, etc. So we need a way to group rows based on whether they are the same company. Given the size of our data, is there any good way to process the standardization efficiently? Below is an example in which all strings should be grouped as a single company: JPMorgan Chase & Co. JPMorgan Chase JPM Chase JPM J.P. Morgan The JPM Company Global Technology at JPMorgan Chase JPM Company JPM Chase Bank JPM CHASE JP Morgan Chase J.P. Morgan Asset Management JPMorgan Chase Bank, N.A. JPMorgan JPMorganChase J.P. Morgan Chase JPMorgan Chase Bank J.P. Morgan Private Bank InstaMed, a J.P. Morgan company J.P. Morgan Chase Bank, N.A. JPMorgan Private Bank JP Morgan Asset Management Jpmorgan Chase Bank National Association J.P. Morgan Retirement Plan Services JPMorgan Retirement Plan Services JPMorgan Chase & Company JP Morgan Chase (formerly Washington Mutual) Washington Mutual/JP Morgan Chase J.P. Morgan Investment Bank JPMorgan Chase (formerly WaMu) JPMorgan Chase Commercial Banking JP Morgan Chase & NSPCC JP Morgan Chase / Bank One JP Morgan & Company Real Estate Appraisers And Con WaMu/JPMorgan Chase JP Morgan & Chase Co. (Formerly Washington Mutual Bank One (JP Morgan Chase) ​ submitted by /u/Super-Martingale [link] [comments]  ( 125 min )

I'm looking for an implementation example of concept saliency for generative models -specifically for conditional variational autoencoder (cVAE) in Pytorch. Does anyone have any experiences or insights? submitted by /u/osedao [link] [comments]  ( 127 min )

Hello everyone, I am currently starting to do research on using contrastive learning for medical image segmentation. From all the papers I have read, I am trying to use SimCLR as pretraining for image segmentation, since I am dealing with medical images I will use the Unet for the downstream task. My question is how do I use the SimCLR as pretraining and is there any good code baseline for this? submitted by /u/Hulord [link] [comments]  ( 122 min )

Paper: https://arxiv.org/abs/2205.05131 Github: https://github.com/google-research/google-research/tree/master/ul2 https://ai.googleblog.com/2022/10/ul2-20b-open-source-unified-language.html Abstract: Existing pre-trained models are generally geared towards a particular class of problems. To date, there seems to be still no consensus on what the right architecture and pre-training setup should be. This paper presents a unified framework for pre-training models that are universally effective across datasets and setups. We begin by disentangling architectural archetypes with pre-training objectives -- two concepts that are commonly conflated. Next, we present a generalized and unified perspective for self-supervision in NLP and show how different pre-training objectives can be cast as …  ( 127 min )

submitted by /u/MysteryInc152 [link] [comments]  ( 134 min )

I find myself in the following scenario: I read many papers and books, and I can replicate many of the ideas I find and also combine them, but when I must create my own thoughts I get somewhat stuck. It is as if my brain gets stuck in “pattern recognition” to identify which of the ideas I have already learned fit the current context, instead of using the “creation” mode. Back in time, when I participated in programming contests, it was not enough to know the main techniques and problems, it was also necessary to have good reasoning and logic skills to apply them in solving certain problems. So it seems vital to me to have these skills for research in ML (or in other areas), yet I have never seen anyone talking about this in universities, lectures, or books. Do you think it is an essential skill? If yes, how do you do to have these skills sharp? submitted by /u/huberemanuel [link] [comments]  ( 127 min )

Hey everyone, just released Marqo 0.0.5! Added Open CLIP models and added features to the get document endpoint.New features Added Open CLIP models (#116). Read about usage here Added the ability to get multiple documents by ID (#122). Read about usage here Added the ability to get document tensor facets through the get document endpoint (#122). Read about usage here Thanks so much for your help and support! submitted by /u/everythingserverless [link] [comments]  ( 125 min )

submitted by /u/GoochCommander [link] [comments]  ( 122 min )

I have been wondering if there has been research on the field of interpolating between slices of medical imaging procedures. For example taking a brain MRI and trying to predict an intermediate slice given the other two surrounding ones as inputs. I imagine that a generative model like a cGAN would be useful for this context. After a dive on the literature I haven't been able to find good articles on the topic, however my background is not in ML. Thanks in advance submitted by /u/Delacroid [link] [comments]  ( 127 min )

I have some simple-ish patterns that I would like to transition into one another. Is there a service that can do this? The content isn't that complex (I would say) but contains, for example, swirls and is a bit psychedelic. Is there any suggestion for this? submitted by /u/FreedomFromLa [link] [comments]  ( 126 min )

Hey everyone! I released v0.0.2 of neograd, a deep learning framework created from scratch using Python and NumPy, with automatic differentiation capabilities. I’d taken for granted that I understood how convolutions work. Just implement a sliding window, perform element-wise multiplication, take its sum, sounds so simple right? Add to that - accounting for the running time of the algorithm, backward pass to get its gradients and convolutions over volumes, this turned out to be an excruciating undertaking. This release includes:- Gradient checking to check the correctness of gradients that are calculated by autograd- Optimization algorithms like Momentum, RMSProp, and Adam- 2D, 3D Convolution and 2D, 3D Pooling layers for Convolutional Neural Networks- Save trained models, weights to disk and load them whenever required- Add checkpoints while training the model- Documentation hosted at https://neograd.readthedocs.io Checkout the GitHub repo - https://github.com/pranftw/neograd Explore the new features on Google Colab - https://colab.research.google.com/drive/1D4JgBwKgnNQ8Q5DpninB6rdFUidRbjwM?usp=sharing https://colab.research.google.com/drive/184916aB5alIyM_xCa0qWnZAL35fDa43L?usp=sharing ​ ​ https://i.redd.it/w6qufo75ywt91.gif https://preview.redd.it/nvecir75ywt91.png?width=502&format=png&auto=webp&s=2d0e6fafdc263be39702eba079f056cc18bef1f1 https://preview.redd.it/rmyskv55ywt91.png?width=543&format=png&auto=webp&s=ce955315b5a941da8b0a6967e5e494ee885f1193 #ai #deeplearning #framework #python #numpy #neuralnetworks submitted by /u/pranftw [link] [comments]  ( 127 min )

I wanted to experiment with free LLMs. There's BLOOM-7b, BLOOM-3b, GPT-Neo and OPT-175B. Which one should I choose? submitted by /u/me219iitd [link] [comments]  ( 126 min )

In Computer Science, it is known that we are very close to the limits of compressing all the information found in an image. There is no way to losslessly compress images much farther. So we've resorted to lossy compression where some of the image's information is thrown away. Instead of throwing away information, maybe there is another approach to getting smaller image files. What if a significant percentage of that information resides somewhere else? Suppose we train a ML model (Resnet, Diffusion Models or whatever) on a wide and comprehensive set of images with two tasks. Task #1 is that the model can take an image, I, as input and outputs a smaller encoding, E. And the same model can be used for task #2, take the encoding E as input and give us the same image I as its output. In this way, the ML model acts as a large external repository of image information that maps between I and E. Instead of transmitting I, we now just need encode I to encoding E, transmit the much smaller E. As long as both transmitter and receiver has the same ML model, the receiver applies the reverse and uses E to decode and get get back the original image, I. submitted by /u/midasp [link] [comments]  ( 126 min )

submitted by /u/Illustrious_Row_9971 [link] [comments]  ( 127 min )

Hi, I have a question. There's a library (uses this paper) which suggests in its cross lingual part that if the XLM-R is trained in english dataset, it can be directly applied to datasets in other languages, and zero shot cross lingual transfer can be conducted. So, my question is, if I trained XLM-R for english summarisation task, will it be able to transfer that knowledge and generate summaries in other languages using zero shot cross lingual transfer? I already have code written and tested for small dataset, but it requires a good amount of computational power for the whole dataset, so that's the reason for asking this question. submitted by /u/1azytux [link] [comments]  ( 126 min )

Diffusion models are trained on a image sequences, where in each sequence, the image is progressively corrupted with noise; given image N, add noise to produce N+1. The diffusion model learns to reverse the corruption by one step; given image N, predict N-1. Could other forms of corruption be used instead of uniform noise? Examples: Compression artifacts Perlin noise Uniform noise applied inconsistently across the image Bad camera exposure Banding due to low bit depth Gaussian blur Pixelation, aliasing, or other sampling artifacts Motion blur Color transformations Sequences of corruptions where the choice of degradation is different for each step Or more complex examples, perhaps for training a model to change the semantics of an image, or repair incoherent outputs: Patches from other images Images with incorrect labels blended in Scrambling image patches with random transformations Sequences of outputs from GANs produced as its training progressed (but with the same seed) DeepDream iterations Or, in general, any distortion with these properties: Cheap to produce or assemble sequences for Causes the image to become more out-of-distribution from the uncorrupted image dataset for the given prompt The motivation for asking is, if there isn't something "special" about noise and any drop-in corruption could be used, a diffusion model could: Be used as a blind image restoration; make an image "better" by human measure without changing it significantly. Tweak the content of an image without removing unecessary details with noise; make an image match a prompt with minimal changes. If there is something "special" about noise (e.g. the model or training procedure makes certain assumptions that depend on noise), what is special about noise, and how can diffusion models be modified to handle more general corruptions? Thanks! submitted by /u/zergling103 [link] [comments]  ( 126 min )

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submitted by /u/SS-AI [link] [comments]  ( 111 min )

submitted by /u/qptbook [link] [comments]  ( 113 min )

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Hey data scientists and AI engineers. My question requires some introduction, since I know how feed-forward neural networks, and also convolutional neural networks do work mathematically and practically. In this post I do only want to talk about CNN's which are used to learn images I know that CNN's (convolutional neural networks) do consist of a few layers which proccess an image in the first part, being followed by one ore more fully connected layers, which indeed act like a classical feed-forward neural network. So in the first part of a CNN, there are one or more stacks of a convolutional layer being followed by a pooling layer. After 1 or more repetitions of a convolutional layer together with a pooling layer, the first part ends with a flatten operation, which does now transform t…  ( 116 min )

submitted by /u/kenickh [link] [comments]  ( 114 min )

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Hello folks, We've just released our new AI app powered by Stable Diffusion. Now there are two options for users; - Text-to-Image - Image-to-Image We are offering over 25 built-in styles and more is on the way. There will be an update soon. We will provide text-to-video and mask property for image-to-image feature on mobile quite soon. You can try IRMO - AI Dream Studio by searching on Google Play Store I hope you enjoy it Regards ​ https://preview.redd.it/wg0owdu11yt91.png?width=832&format=png&auto=webp&s=2f02328b47b68a160b32970108a98efdf1cfd97c submitted by /u/kaburgadolmasi [link] [comments]  ( 109 min )

submitted by /u/Jan_Prince [link] [comments]  ( 126 min )

So I saw these comments lately: yeah, with being rumored to be selling in two years when it's available, this is a period of downsizing to be swallowed by another owner. I've come to accept that. Cartoon Network is what I grew up on, but it's alright if kids today grow up on other animation studios. Or even more realistically the direction things are headed, animation studios probably won't be a thing. Digital art is going displace a lot of the work in the space. An artist can create a style for a series and AI will be able to replicate it. Although I think we need to also stop considering animation for kids, https://old.reddit.com/r/boxoffice/comments/y2kzat/cartoon_network_studios_as_you_know_it_is_gone/is3yruv/ ...and these subsequent replies: In my opinion, yes. Anyone who sa…  ( 124 min )

Here it is: https://beta.character.ai/p/kUYs6gakyOmQck8boljIUFn8Qv5-b6O2l7thVEFzxRQ It has many interesting parts, but the part at the end where "she" kept stopping in the middle of thoughts was - compelling, to say the least. I would love to hear from someone who actually codes AIs to explain what was going on there. If you read the last 10% of the conversation you'll see what I'm talking about. Thanks! I'm also working on a project where I'm making AI Self-Portraits, I'm posting them on my Twitter (karney) and Instagram (AISelfPortraits). Here are two of the best. submitted by /u/KarneyHatch [link] [comments]  ( 118 min )

submitted by /u/OnlyProggingForFun [link] [comments]  ( 110 min )

One of the things I'm enjoying about text-to-image generators like DALL-E2 is how it has stuff about common brands in its training data, but it still manages to completely garble them. Please enjoy these DALL-E2 attempts at Halloween candy favorites. Prompt: "Product photo of a fun-sized butterfinger  ( 3 min )

submitted by /u/kenickh [link] [comments]  ( 123 min )

submitted by /u/breck [link] [comments]  ( 114 min )

This post is for someone unfamiliar with SciPy who wants to use Python to do basic statistical calculations. More specifically, this post will look at working with common families of random variables—normal, exponential, gamma, etc.—and how to calculate probabilities with these. All the statistical functions you need will be in the stats subpackage of SciPy. […] Using Python as a statistical calculator first appeared on John D. Cook.  ( 7 min )

As a civil engineer, Scott Ashford used explosives to make the ground under Japan’s Sendai airport safer in an earthquake. Now, as the dean of the engineering college at Oregon State University, he’s at ground zero of another seismic event. In its biggest fundraising celebration in nearly a decade, Oregon State announced plans today for Read article > The post AI Supercomputer to Power $200 Million Oregon State University Innovation Complex appeared first on NVIDIA Blog.  ( 7 min )

Real-time music accompaniment generation has a wide range of applications in the music industry, such as music education and live performances. However, automatic real-time music accompaniment generation is still understudied and often faces a trade-off between logical latency and exposure bias. In this paper, we propose SongDriver, a real-time music accompaniment generation system without logical latency nor exposure bias. Specifically, SongDriver divides one accompaniment generation task into two phases: 1) The arrangement phase, where a Transformer model first arranges chords for input melodies in real-time, and caches the chords for the next phase instead of playing them out. 2) The prediction phase, where a CRF model generates playable multi-track accompaniments for the coming melodies based on previously cached chords. With this two-phase strategy, SongDriver directly generates the accompaniment for the upcoming melody, achieving zero logical latency. Furthermore, when predicting chords for a timestep, SongDriver refers to the cached chords from the first phase rather than its previous predictions, which avoids the exposure bias problem. Since the input length is often constrained under real-time conditions, another potential problem is the loss of long-term sequential information. To make up for this disadvantage, we extract four musical features from a long-term music piece before the current time step as global information. In the experiment, we train SongDriver on some open-source datasets and an original \`aiSong Dataset built from Chinese-style modern pop music scores. The results show that SongDriver outperforms existing SOTA (state-of-the-art) models on both objective and subjective metrics, meanwhile significantly reducing the physical latency.  ( 3 min )

Hello everyone, the last weeks AI art has been making the rounds in a lot of places and there seems to be an increasing want of people for something which makes it easier to know when people generated AI art in places where this is not supposed to be posted. mm_maybe has built an open source AI art detector tool. Because he currently can't post he asked if I could post about this on his behalf. The model is trained on many AI artworks to be able to identify them. In many cases the model will correctly identify if something is AI generated art or a human made artwork. It should be added that the model is not always a 100% accurate, there are cases where it might accidentally identify something as AI art or human made where it isn't, but he wants people to report this, preferably with details, so that the model can be improved. We are currently trying to find reasons for incorrect results to resolve them. This means that you CAN'T use this tool to 100% determine if something is AI art, but it will have a high chance of giving correct results. To make it possible for it to be improved more easily, the code will be available for others to fork it (copy and build upon it) and add improvements to it. The model can be downloaded and run locally on a computer as well. You can try out a demo here, sometimes the demo can give an error because of huggingface, but if you run it locally it should always work: https://huggingface.co/spaces/umm-maybe/AI-image-detector He wrote an article explaining it in more detail and his motivations here: https://medium.com/@matthewmaybe/can-an-ai-learn-to-identify-ai-art-545d9d6af226 submitted by /u/Ubizwa [link] [comments]  ( 127 min )

I have several thousand ~5 minute videos on which I need to run per-frame inference. Inference is run independently for each frame. Current approach uses cv2.videocapture to read a single frame at a time, creates a tensor once k frames have been read, and then passes it through the model. This is super slow, and so I'm looking for ways to speed things up. One approach I've thought about is saving each video to individual frames beforehand, processing all frames for a video, and then deleting them, but this seems kinda clunky. submitted by /u/answersareallyouneed [link] [comments]  ( 121 min )

Has anyone experimented with SD training/finetuning on TPUs, ideally in JAX? I have found two promising repositories: https://github.com/patil-suraj/stable-diffusion-jax https://github.com/huggingface/diffusers/issues/475 However none of them looks ready for use. Is there any alternative, or will I have to get coding? ;-) submitted by /u/MasterScrat [link] [comments]  ( 123 min )

Hi, I am trying to narrow down Universities for graduation. I want to narrow down how many publications are being sent and accepted in top ML conferences(ICLR, Neuro-IPs, ICML) from Universities. Is there an easy way to see/website which wraps that information in a succinct way? submitted by /u/droid786 [link] [comments]  ( 132 min )

The most efficient methods for nearest neighbor search (broadly used for information retrieval) are typically based on similarity graphs. In this post, we recap the ideas behind such graph-based approaches and overview our discoveries in this field. Blog post link. submitted by /u/metkere [link] [comments]  ( 126 min )

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TL;DR; We wanted to learn about Multi-stakeholder recommendation systems, and we spent the past few weeks reading a lot on this topic & in the process - we took a lot of notes, which we turned into this long article. (also, more upcoming articles on this subject) - This first article covers topics like LTR , LTR Eval metrics, Stochastic label aggregation, model fusion, constraint optimisation etc. Towards that end, here is our first blog on the subject: The Foundation: A Notes on Recsys, LTR, Ranking Evaluation metrics & Multi-Objective Ranking in practice. https://preview.redd.it/9bidz3qbost91.png?width=1472&format=png&auto=webp&s=89426d98984628912c5c5253a4f34d0011f81f15 Most recommendation systems today are multi-sided, with multiple stakeholders. Consequently, the systems need to optimize for catering to various stakeholders (ex: consider uber eats, where you have the eaters, delivery partners & restaurant partners - each with a different set of expectations from the platform.) - Find out how these systems are designed, optimized and explore the inner workings. In this First Part, we actually begin by explaining the Problem statement, setting up background on common patterns of building recommendation systems in the industry today, methods of developing ranking models (LTR), and popular metrics to evaluate ranking models & then introduce various approaches to multiple objective optimizations applied to recommendation systems, and dive a bit into some examples from Etsy, Linkedin & Expedia to understand how this is solved in practice. In the upcoming posts, we will expand on this subject in more detail, on various types of multi-objective optimization methods. Check this out, and let us know if you find something missing here or would like to be covered or maybe suggest improvements. submitted by /u/xen-m-rph [link] [comments]  ( 126 min )

Hi guys! I'm currenlty working on a computer vision project with ~10k products to annotate. We have a lot of pictures to annotate. For each picture that we have to annotate, we have to match it with 1 product name. To do this, I've created ~10k labels (which corresponds to the ~10k products). Unfortunately, when trying to open a picture in order to annotate it, all the platforms that I've tried lag : CVAT, Label Studio etc. Do you have any idea / workaround to make this possible? Thanks a lot for your help! submitted by /u/Messatsu92 [link] [comments]  ( 123 min )

Hello the community, Since the release of diffusion models we saw many posts on that. The one made by Lambdalabs was very interesting and fun. However I found it personally difficult to finetune on my own data. This is why I created a repository that simplifies a bit the process https://github.com/YaYaB/finetune-diffusion. It breaks down into several steps: - Dataset creation and how to actually create a dataset using HuggingFace's datasets library - Captioning if you do not have any using BLIP similarly to lambdalabs - Finetuning based on a script released by HuggingFace on their diffusers repository I've added a few functionalities in the whole process: - Simplify the captioning and dataset creation in a few scripts - Finetuning can be done on a local dataset (if you do not want or can not share your dataset on HuggingFace Hub) - Validation prompts can be set at every epoch (to verify when the model begins to overfit) - Model can be uploaded to HuggingFace hub every X epochs - A script to test your model locally has been added - A dataset card template is available - A space app can be copied an modified In the Results section of the README you'll find some examples of prompts based on a model finetuned on One Piece characters and another one on Magic cards. Demos are available (sorry in advance for the latency I don't have a pro HuggingFace account yet): - https://huggingface.co/spaces/YaYaB/text-to-magic - https://huggingface.co/spaces/YaYaB/text-to-onepiece Attached some results based on finetuning on Magic cards. Next steps: - Dockerize everything to simplify the process - Dump the weights locally every X epochs (it takes a lot of disk space) - Add some visualization tool to play with it Hope it can be helpful to anyone :) submitted by /u/YaYaLeB [link] [comments]  ( 124 min )

I saw this post on r/MachineLearning about fine-tuning StableDiffusion on a custom dataset and decided to have a go. From a previous project, I had a dataset of images of Mobile Suits (i.e humanoid mechas) from the anime franchise Mobile Suit Gundam. Project: https://github.com/Askannz/gundam-stable-diffusion (see there for code&data) Some fun results: https://imgur.com/a/1Bg1Lyy Colab demo: https://colab.research.google.com/drive/11Bdkub4OGtMNdSlMKx4fklB5LAtFFVpG submitted by /u/OnlineGrab [link] [comments]  ( 120 min )

Happy to share our new open-source work: detrex. detrex is an open-source toolbox that provides state-of-the-art Transformer-based object detection algorithms. Here's the github links: https://github.com/IDEA-Research/detrex detrex was built on detectron2 and we used the powerful LazyConfig system for more flexible syntax and cleaner config files. Fun Facts: Its name says all about this work: - detr-ex: We take our hats off to DETR and regard this repo as an extension of Transformer-based detection algorithms. det-rex: rex literally means 'king' in Latin. We hope this repo can help advance the state of the art on object detection by providing the best Transformer-based detection algorithms from the research community. de-t.rex: de means 'the' in German. T.rex, also called Tyrannosaurus Rex, means 'king of the tyrant lizards' and connects to our research work 'DINO', which is short for Dinosaur. Overview of Model Zoo detrex has already implemented the following algorithms: - DETR (ECCV'2020) - Deformable-DETR (ICLR'2021 Oral) - Conditional-DETR (ICCV'2021) - DAB-DETR (ICLR'2022) - DAB-Deformable-DETR (ICLR'2022) - DN-DETR (CVPR'2022 Oral) - DN-Deformable-DETR (CVPR'2022 Oral) - DINO (ArXiv'2022) - Group-DETR (ArXiv' 2022) Nice Performance Here is the performance of models trained using detrex compared with their original repo. Method AP (original repo) AP (detrex) Conditional-DETR-R50 40.9 41.6 Deformable-DETR-R50-Two-Stage 46.9 47.3 DAB-DETR-R50 42.2 43.3 DAB-DETR-R101 43.2 44.0 DAB-Deformable-DETR-R50 48.7 48.9 DN-DETR 44.4 44.7 DINO-R50-12epochs 49.0 49.0 DINO-Swin-Large-12epochs 56.8 56.9 submitted by /u/Technical-Vast1314 [link] [comments]  ( 119 min )

[DISCLAIMER bc of the negativity]: I will NOT architect our systems, we WILL hire architects. I just want to start learning the basics and the different options, so once the architects arrive, I'll have an understanding/have a common language with them. I think that's reasonable, as I have a background in CS and ML myself. Hi, I've been hired as the first person of a future ML team at a company, and we're trying to get a feel for what ML Architecture we'd want to work with. I have no experience with architecture (and we will bring in an architect in eventually), but I'd like to get a better understanding of the concrete tech stacks that are to be used. And I really do mean tech, as I've read a bunch of theoretical articles about what the tasks are of such a system, I'm interested in the exact tech being used. I'm aware of Azure, GCP and AWS offering their cloud-based ML platforms, but I was wondering where I could learn a bit more about the pros/cons of each (vs. maybe even a custom solution). How would you go about architecting a modern MLOps pipeline? Does it make sense to mix and match providers (e.g. hosting KubeFlow on Azure and connecting to some AWS Lambdas - yeah I know my example doesn't exactly make sense). Just to clarify, I'm not trying to put together the whole architecture myself, I'd just like to do some research and hear your opinions maybe on some of the providers. submitted by /u/lifesthateasy [link] [comments]  ( 134 min )

A considerable percentage of new apps in the Google App store are removed for violating the store's guidelines. This is inconvenient for the users of these apps, who may lose their in-app data. Computer scientists from the University of Groningen have devised two machine learning models that can predict the chances of a new app being removed, both before and after uploading it to the app store. These models can help both developers and users. The details of this project are described in a paper that was published in the journal Systems and Soft Computing on Sept. 29. The Google Play store has set rules and requirements that developers must adhere to. After being submitted, apps are immediately uploaded to the store, but it takes Google some time to vet them before they remove apps that ar…  ( 135 min )

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Basically, I found a website called Dall-e thanks to tiktok, I really love the idea, but there was one problem, it asked for my phone number, the worst part was the images were high quality submitted by /u/Goofy_AhhKid [link] [comments]  ( 113 min )

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A couple of days ago, Stability AI “infiltrated” the r/StableDiffusion community, banned some of the users, kicked out the moderators and took over the subreddit https://analyticsindiamag.com/when-stability-ai-went-rogue-on-reddit-rampage%ef%bf%bc/ submitted by /u/analyticsindiam [link] [comments]  ( 115 min )

A big problem in parts of the world with sub-replacement fertility that can't attract immigrants, especially Eastern Europe, is that economic development is hindered. This is especially true in places like the Balkans, where emigration is very high. Do you see AI as being able to offset this and allow the economies of countries like these to continue to grow in this decade and the next? I'm not sure if anyone has written about this. submitted by /u/PancakesYoYo [link] [comments]  ( 113 min )

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Amazon SageMaker multi-model endpoint (MME) enables you to cost-effectively deploy and host multiple models in a single endpoint and then horizontally scale the endpoint to achieve scale. As illustrated in the following figure, this is an effective technique to implement multi-tenancy of models within your machine learning (ML) infrastructure. We have seen software as a […]  ( 9 min )

This post was co-written with Tobias Wenzel, Software Engineering Manager for the Intuit Machine Learning Platform. We all appreciate the importance of a high-quality and reliable machine learning (ML) model when using autonomous driving or interacting with Alexa, for examples. ML models also play an important role in less obvious ways—they’re used by business applications, […]  ( 9 min )

Amazon Neptune ML is a machine learning (ML) capability of Amazon Neptune that helps you make accurate and fast predictions on your graph data. Under the hood, Neptune ML uses Graph Neural Networks (GNNs) to simultaneously take advantage of graph structure and node/edge properties to solve the task at hand. Traditional methods either only use […]  ( 9 min )

If you’re like most people, you probably think that only highly intelligent people are capable of being creative. But as it turns out, this…  ( 21 min )

For a given dataset (say, CIFAR-10), if you intentionally keep the latent space dimensionality to be large, 1000-d, I am assuming that during learning, the model will automatically not use the dimensions it doesn't need to optimize the reconstruction and KL-divergence losses. Consequently, these variables will be either or very close to a multivariable, standard, Gaussian distribution(s). Is my hand wavy thought correct? And if yes, are there any research paper which prove this? I have implemented quite a few of them which can be referred to here. submitted by /u/grid_world [link] [comments]  ( 107 min )

I am training an object detection model to find electric poles. I have a dataset of street photos and there all type of objects, some of them really look like electric poles (lamp posts mainly). I struggle to decide if I should also annotate this objects (even if they are not useful). If I do not annotate them, could it harm the performance of my electric pole class ? Otherwise stated, if I want to detect only dogs in a dataset where there are also foxes, does not annotating the foxes will harm the dogs predictions ? submitted by /u/Seblop [link] [comments]  ( 113 min )

Posted by Yi Tay and Mostafa Dehghani, Research Scientists, Google Research, Brain Team Building models that understand and generate natural language well is one the grand goals of machine learning (ML) research and has a direct impact on building smart systems for everyday applications. Improving the quality of language models is a key target for researchers to make progress toward such a goal. Most common paradigms to build and train language models use either autoregressive decoder-only architectures (e.g., PaLM or GPT-3), where the model is trained to predict the next word for a given prefix phrase, or span corruption-based encoder-decoder architectures (e.g., T5, ST-MoE), where the training objective is to recover the subset of words masked out of the input. On the one hand, T5-lik…  ( 27 min )

What's the best neural network to use with data from a laser range finder? I'm think CNN, but have limited knowledge on their applications with LRF. Does anybody have experience with this or good sources? submitted by /u/insignificantBeing0 [link] [comments]  ( 120 min )

Hello, I would like to know what are the research traditions in the RL community for these 3 conferences ? What are the ones deemed more theoretical / applicative ? What are the ones with better reputation / more senior comity ? What are the ones that will contribute more towards an academic career vs. the ones with industrial research? I know there are also ICML, NeurIPS and ICLR that are also very famous, but these conferences have becomes a real mess and I prefer to avoid them. submitted by /u/ArmandDerech [link] [comments]  ( 121 min )

Hello, I am doing my thesis about trying to learn graph problems using reinforcement learning. I am currently using stablebaselines3 and openAI gym to execute my research but I am having an issue with learning. My model seems to be learning the index of certain vertices instead of any actual useful policies. This means for any graph given it always picks the same vertices. For reference: My observation space (state space) is the adjacency matrix of my graph My action space is a number corresponding to a certain vertex index. For example a predicted action could be 7 which would make us add vertex with index 7 to the solution. I am not sure my formulation is correct. I am also not sure if I should be using stablebaselines3 for this or something else. submitted by /u/Kibo178 [link] [comments]  ( 130 min )

I read a few papers that described DDPG with SAC, which confused me since it seemed to me the entire point of DDPG was to get rid of having the policy distribution. I am interested in such a method and am curious about its implementation since I am doing some research that requires the soft actor critic update but would preferably keep DDPG. Here's MAAC paper which describes a MADDPG + SAC validation: https://arxiv.org/pdf/1810.02912.pdf Implementationwise, does this mean one has to keep the learned policy function pi in order to take the entropy in the SAC update along with the deterministic policy function mu? If not, what does one need to do to do DDPG + SAC? submitted by /u/0neDividedbyZer0 [link] [comments]  ( 120 min )

There are at least three common ways to describe the shape of an ellipse: eccentricity e, flattening f, and aspect ratio r. Each is a number between 0 and 1. (Flattening is also called ellipticity, which is a descriptive name, but unfortunately it sounds a lot like eccentricity.) Although converting between these three descriptions is […] Eccentricity, Flattening, and Aspect Ratio first appeared on John D. Cook.  ( 5 min )

(Unlocked bonus post - longggg bonus post!) What does DALL-E2 generate when I ask it for the most popular Halloween candy of each US state? Each prompt is included in the picture's caption - you can see that after a while I started varying it a bit, first  ( 4 min )

In this paper, we focus on the problem of modeling dynamic geo-human interactions in streams for online POI recommendations. Specifically, we formulate the in-stream geo-human interaction modeling problem into a novel deep interactive reinforcement learning framework, where an agent is a recommender and an action is a next POI to visit. We uniquely model the reinforcement learning environment as a joint and connected composition of users and geospatial contexts (POIs, POI categories, functional zones). An event that a user visits a POI in stream updates the states of both users and geospatial contexts; the agent perceives the updated environment state to make online recommendations. Specifically, we model a mixed-user event stream by unifying all users, visits, and geospatial contexts as a dynamic knowledge graph stream, in order to model human-human, geo-human, geo-geo interactions. We design an exit mechanism to address the expired information challenge, devise a meta-path method to address the recommendation candidate generation challenge, and develop a new deep policy network structure to address the varying action space challenge, and, finally, propose an effective adversarial training method for optimization. Finally, we present extensive experiments to demonstrate the enhanced performance of our method.  ( 3 min )

In distributed training of deep neural networks, people usually run Stochastic Gradient Descent (SGD) or its variants on each machine and communicate with other machines periodically. However, SGD might converge slowly in training some deep neural networks (e.g., RNN, LSTM) because of the exploding gradient issue. Gradient clipping is usually employed to address this issue in the single machine setting, but exploring this technique in the distributed setting is still in its infancy: it remains mysterious whether the gradient clipping scheme can take advantage of multiple machines to enjoy parallel speedup. The main technical difficulty lies in dealing with nonconvex loss function, non-Lipschitz continuous gradient, and skipping communication rounds simultaneously. In this paper, we explore a relaxed-smoothness assumption of the loss landscape which LSTM was shown to satisfy in previous works, and design a communication-efficient gradient clipping algorithm. This algorithm can be run on multiple machines, where each machine employs a gradient clipping scheme and communicate with other machines after multiple steps of gradient-based updates. Our algorithm is proved to have $O\left(\frac{1}{N\epsilon^4}\right)$ iteration complexity and $O(\frac{1}{\epsilon^3})$ communication complexity for finding an $\epsilon$-stationary point in the homogeneous data setting, where $N$ is the number of machines. This indicates that our algorithm enjoys linear speedup and reduced communication rounds. Our proof relies on novel analysis techniques of estimating truncated random variables, which we believe are of independent interest. Our experiments on several benchmark datasets and various scenarios demonstrate that our algorithm indeed exhibits fast convergence speed in practice and thus validates our theory.  ( 3 min )

Electroencephalography (EEG) provides access to neuronal dynamics non-invasively with millisecond resolution, rendering it a viable method in neuroscience and healthcare. However, its utility is limited as current EEG technology does not generalize well across domains (i.e., sessions and subjects) without expensive supervised re-calibration. Contemporary methods cast this transfer learning (TL) problem as a multi-source/-target unsupervised domain adaptation (UDA) problem and address it with deep learning or shallow, Riemannian geometry aware alignment methods. Both directions have, so far, failed to consistently close the performance gap to state-of-the-art domain-specific methods based on tangent space mapping (TSM) on the symmetric positive definite (SPD) manifold. Here, we propose a theory-based machine learning framework that enables, for the first time, learning domain-invariant TSM models in an end-to-end fashion. To achieve this, we propose a new building block for geometric deep learning, which we denote SPD domain-specific momentum batch normalization (SPDDSMBN). A SPDDSMBN layer can transform domain-specific SPD inputs into domain-invariant SPD outputs, and can be readily applied to multi-source/-target and online UDA scenarios. In extensive experiments with 6 diverse EEG brain-computer interface (BCI) datasets, we obtain state-of-the-art performance in inter-session and -subject TL with a simple, intrinsically interpretable network architecture, which we denote TSMNet.  ( 3 min )

Recently, auto-bidding technique has become an essential tool to increase the revenue of advertisers. Facing the complex and ever-changing bidding environments in the real-world advertising system (RAS), state-of-the-art auto-bidding policies usually leverage reinforcement learning (RL) algorithms to generate real-time bids on behalf of the advertisers. Due to safety concerns, it was believed that the RL training process can only be carried out in an offline virtual advertising system (VAS) that is built based on the historical data generated in the RAS. In this paper, we argue that there exists significant gaps between the VAS and RAS, making the RL training process suffer from the problem of inconsistency between online and offline (IBOO). Firstly, we formally define the IBOO and systematically analyze its causes and influences. Then, to avoid the IBOO, we propose a sustainable online RL (SORL) framework that trains the auto-bidding policy by directly interacting with the RAS, instead of learning in the VAS. Specifically, based on our proof of the Lipschitz smooth property of the Q function, we design a safe and efficient online exploration (SER) policy for continuously collecting data from the RAS. Meanwhile, we derive the theoretical lower bound on the safety of the SER policy. We also develop a variance-suppressed conservative Q-learning (V-CQL) method to effectively and stably learn the auto-bidding policy with the collected data. Finally, extensive simulated and real-world experiments validate the superiority of our approach over the state-of-the-art auto-bidding algorithm.  ( 3 min )

Despite substantial progress in 3D object detection, advanced 3D detectors often suffer from heavy computation overheads. To this end, we explore the potential of knowledge distillation (KD) for developing efficient 3D object detectors, focusing on popular pillar- and voxel-based detectors.In the absence of well-developed teacher-student pairs, we first study how to obtain student models with good trade offs between accuracy and efficiency from the perspectives of model compression and input resolution reduction. Then, we build a benchmark to assess existing KD methods developed in the 2D domain for 3D object detection upon six well-constructed teacher-student pairs. Further, we propose an improved KD pipeline incorporating an enhanced logit KD method that performs KD on only a few pivotal positions determined by teacher classification response, and a teacher-guided student model initialization to facilitate transferring teacher model's feature extraction ability to students through weight inheritance. Finally, we conduct extensive experiments on the Waymo dataset. Our best performing model achieves $65.75\%$ LEVEL 2 mAPH, surpassing its teacher model and requiring only $44\%$ of teacher flops. Our most efficient model runs 51 FPS on an NVIDIA A100, which is $2.2\times$ faster than PointPillar with even higher accuracy. Code will be available.  ( 3 min )

We present a new method that includes three key components of distributed optimization and federated learning: variance reduction of stochastic gradients, compressed communication, and partial participation. We prove that the new method has optimal oracle complexity and state-of-the-art communication complexity in the partial participation setting. Moreover, we observe that "1 + 1 + 1 is not 3": by mixing variance reduction of stochastic gradients with compressed communication and partial participation, we do not obtain a fully synergetic effect. We explain the nature of this phenomenon, argue that this is to be expected, and propose possible workarounds.  ( 2 min )

While instance-level explanation of GNN is a well-studied problem with plenty of approaches being developed, providing a global explanation for the behaviour of a GNN is much less explored, despite its potential in interpretability and debugging. Existing solutions either simply list local explanations for a given class, or generate a synthetic prototypical graph with maximal score for a given class, completely missing any combinatorial aspect that the GNN could have learned. In this work, we propose GLGExplainer (Global Logic-based GNN Explainer), the first Global Explainer capable of generating explanations as arbitrary Boolean combinations of learned graphical concepts. GLGExplainer is a fully differentiable architecture that takes local explanations as inputs and combines them into a logic formula over graphical concepts, represented as clusters of local explanations. Contrary to existing solutions, GLGExplainer provides accurate and human-interpretable global explanations that are perfectly aligned with ground-truth explanations (on synthetic data) or match existing domain knowledge (on real-world data). Extracted formulas are faithful to the model predictions, to the point of providing insights into some occasionally incorrect rules learned by the model, making GLGExplainer a promising diagnostic tool for learned GNNs.  ( 2 min )

Relative positional embeddings (RPE) have received considerable attention since RPEs effectively model the relative distance among tokens and enable length extrapolation. We propose KERPLE, a framework that generalizes relative position embedding for extrapolation by kernelizing positional differences. We achieve this goal using conditionally positive definite (CPD) kernels, a class of functions known for generalizing distance metrics. To maintain the inner product interpretation of self-attention, we show that a CPD kernel can be transformed into a PD kernel by adding a constant offset. This offset is implicitly absorbed in the Softmax normalization during self-attention. The diversity of CPD kernels allows us to derive various RPEs that enable length extrapolation in a principled way. Experiments demonstrate that the logarithmic variant achieves excellent extrapolation performance on three large language modeling datasets. Our implementation and pretrained checkpoints are released at~\url{https://github.com/chijames/KERPLE.git}.  ( 2 min )

We propose a practical integration of logical state abstraction with AIXI, a Bayesian optimality notion for reinforcement learning agents, to significantly expand the model class that AIXI agents can be approximated over to complex history-dependent and structured environments. The state representation and reasoning framework is based on higher-order logic, which can be used to define and enumerate complex features on non-Markovian and structured environments. We address the problem of selecting the right subset of features to form state abstractions by adapting the $\Phi$-MDP optimisation criterion from state abstraction theory. Exact Bayesian model learning is then achieved using a suitable generalisation of Context Tree Weighting over abstract state sequences. The resultant architecture can be integrated with different planning algorithms. Experimental results on controlling epidemics on large-scale contact networks validates the agent's performance.  ( 2 min )

Artificial neural networks are promising for general function approximation but challenging to train on non-independent or non-identically distributed data due to catastrophic forgetting. The experience replay buffer, a standard component in deep reinforcement learning, is often used to reduce forgetting and improve sample efficiency by storing experiences in a large buffer and using them for training later. However, a large replay buffer results in a heavy memory burden, especially for onboard and edge devices with limited memory capacities. We propose memory-efficient reinforcement learning algorithms based on the deep Q-network algorithm to alleviate this problem. Our algorithms reduce forgetting and maintain high sample efficiency by consolidating knowledge from the target Q-network to the current Q-network. Compared to baseline methods, our algorithms achieve comparable or better performance in both feature-based and image-based tasks while easing the burden of large experience replay buffers.  ( 2 min )

We consider offline reinforcement learning (RL) methods in possibly nonstationary environments. Many existing RL algorithms in the literature rely on the stationarity assumption that requires the system transition and the reward function to be constant over time. However, the stationarity assumption is restrictive in practice and is likely to be violated in a number of applications, including traffic signal control, robotics and mobile health. In this paper, we develop a consistent procedure to test the nonstationarity of the optimal policy based on pre-collected historical data, without additional online data collection. Based on the proposed test, we further develop a sequential change point detection method that can be naturally coupled with existing state-of-the-art RL methods for policy optimization in nonstationary environments. The usefulness of our method is illustrated by theoretical results, simulation studies, and a real data example from the 2018 Intern Health Study. A Python implementation of the proposed procedure is available at https://github.com/limengbinggz/CUSUM-RL.  ( 2 min )

Network pruning is a widely-used compression technique that is able to significantly scale down overparameterized models with minimal loss of accuracy. This paper shows that pruning may create or exacerbate disparate impacts. The paper sheds light on the factors to cause such disparities, suggesting differences in gradient norms and distance to decision boundary across groups to be responsible for this critical issue. It analyzes these factors in detail, providing both theoretical and empirical support, and proposes a simple, yet effective, solution that mitigates the disparate impacts caused by pruning.  ( 2 min )

We characterize the class of image plane transformations which realize rigid camera motions and call these transformations `rigidity preserving'. In particular, 2D translations of pinhole images are not rigidity preserving. Hence, when using CNNs for 3D inference tasks, it can be beneficial to modify the inductive bias from equivariance towards translations to equivariance towards rigidity preserving transformations. We investigate how equivariance with respect to rigidity preserving transformations can be approximated in CNNs, and test our ideas on both 6D object pose estimation and visual localization. Experimentally, we improve on several competitive baselines.  ( 2 min )

Video prediction is a challenging task. The quality of video frames from current state-of-the-art (SOTA) generative models tends to be poor and generalization beyond the training data is difficult. Furthermore, existing prediction frameworks are typically not capable of simultaneously handling other video-related tasks such as unconditional generation or interpolation. In this work, we devise a general-purpose framework called Masked Conditional Video Diffusion (MCVD) for all of these video synthesis tasks using a probabilistic conditional score-based denoising diffusion model, conditioned on past and/or future frames. We train the model in a manner where we randomly and independently mask all the past frames or all the future frames. This novel but straightforward setup allows us to train a single model that is capable of executing a broad range of video tasks, specifically: future/past prediction -- when only future/past frames are masked; unconditional generation -- when both past and future frames are masked; and interpolation -- when neither past nor future frames are masked. Our experiments show that this approach can generate high-quality frames for diverse types of videos. Our MCVD models are built from simple non-recurrent 2D-convolutional architectures, conditioning on blocks of frames and generating blocks of frames. We generate videos of arbitrary lengths autoregressively in a block-wise manner. Our approach yields SOTA results across standard video prediction and interpolation benchmarks, with computation times for training models measured in 1-12 days using $\le$ 4 GPUs. Project page: https://mask-cond-video-diffusion.github.io ; Code : https://github.com/voletiv/mcvd-pytorch  ( 3 min )

We study an algorithmic equivalence technique between non-convex gradient descent and convex mirror descent. We start by looking at a harder problem of regret minimization in online non-convex optimization. We show that under certain geometric and smoothness conditions, online gradient descent applied to non-convex functions is an approximation of online mirror descent applied to convex functions under reparameterization. In continuous time, the gradient flow with this reparameterization was shown to be exactly equivalent to continuous-time mirror descent by Amid and Warmuth 2020, but theory for the analogous discrete time algorithms is left as an open problem. We prove an $O(T^{\frac{2}{3}})$ regret bound for non-convex online gradient descent in this setting, answering this open problem. Our analysis is based on a new and simple algorithmic equivalence method.  ( 2 min )

We show the universality of depth-2 group convolutional neural networks (GCNNs) in a unified and constructive manner based on the ridgelet theory. Despite widespread use in applications, the approximation property of (G)CNNs has not been well investigated. The universality of (G)CNNs has been shown since the late 2010s. Yet, our understanding on how (G)CNNs represent functions is incomplete because the past universality theorems have been shown in a case-by-case manner by manually/carefully assigning the network parameters depending on the variety of convolution layers, and in an indirect manner by converting/modifying the (G)CNNs into other universal approximators such as invariant polynomials and fully-connected networks. In this study, we formulate a versatile depth-2 continuous GCNN $S[\gamma]$ as a nonlinear mapping between group representations, and directly obtain an analysis operator, called the ridgelet trasform, that maps a given function $f$ to the network parameter $\gamma$ so that $S[\gamma]=f$. The proposed GCNN covers typical GCNNs such as the cyclic convolution on multi-channel images, networks on permutation-invariant inputs (Deep Sets), and $\mathrm{E}(n)$-equivariant networks. The closed-form expression of the ridgelet transform can describe how the network parameters are organized to represent a function. While it has been known only for fully-connected networks, this study is the first to obtain the ridgelet transform for GCNNs. By discretizing the closed-form expression, we can systematically generate a constructive proof of the $cc$-universality of finite GCNNs. In other words, our universality proofs are more unified and constructive than previous proofs.  ( 3 min )

Linear systems occur throughout engineering and the sciences, most notably as differential equations. In many cases the forcing function for the system is unknown, and interest lies in using noisy observations of the system to infer the forcing, as well as other unknown parameters. In differential equations, the forcing function is an unknown function of the independent variables (typically time and space), and can be modelled as a Gaussian process (GP). In this paper we show how the adjoint of a linear system can be used to efficiently infer forcing functions modelled as GPs, using a truncated basis expansion of the GP kernel. We show how exact conjugate Bayesian inference for the truncated GP can be achieved, in many cases with substantially lower computation than would be required using MCMC methods. We demonstrate the approach on systems of both ordinary and partial differential equations, and show that the basis expansion approach approximates well the true forcing with a modest number of basis vectors. Finally, we show how to infer point estimates for the non-linear model parameters, such as the kernel length-scales, using Bayesian optimisation.  ( 3 min )

Anticipating price developments in financial markets is a topic of continued interest in forecasting. Funneled by advancements in deep learning and natural language processing (NLP) together with the availability of vast amounts of textual data in form of news articles, social media postings, etc., an increasing number of studies incorporate text-based predictors in forecasting models. We contribute to this literature by introducing weak learning, a recently proposed NLP approach to address the problem that text data is unlabeled. Without a dependent variable, it is not possible to finetune pretrained NLP models on a custom corpus. We confirm that finetuning using weak labels enhances the predictive value of text-based features and raises forecast accuracy in the context of predicting cryptocurrency returns. More fundamentally, the modeling paradigm we present, weak labeling domain-specific text and finetuning pretrained NLP models, is universally applicable in (financial) forecasting and unlocks new ways to leverage text data.  ( 2 min )

We combine the capacity of sparsely gated Mixture-of-Experts (MoE) with the speed and stability of linear, mixing transformations to design the Sparse Mixer encoder model. Sparse Mixer slightly outperforms (<1%) BERT on GLUE and SuperGLUE, but more importantly trains 65% faster and runs inference 61% faster. We also present a faster variant, prosaically named Fast Sparse Mixer, that marginally underperforms BERT on SuperGLUE, but trains and runs nearly twice as fast. We justify the design of these two models by carefully ablating through various mixing mechanisms, MoE configurations and hyperparameters. Sparse Mixer overcomes many of the latency and stability concerns of MoE models and offers the prospect of serving sparse student models, without resorting to distilling them to dense variants.  ( 2 min )

We consider the regret minimization task in a dueling bandits problem with context information. In every round of the sequential decision problem, the learner makes a context-dependent selection of two choice alternatives (arms) to be compared with each other and receives feedback in the form of noisy preference information. We assume that the feedback process is determined by a linear stochastic transitivity model with contextualized utilities (CoLST), and the learner's task is to include the best arm (with highest latent context-dependent utility) in the duel. We propose a computationally efficient algorithm, $\texttt{CoLSTIM}$, which makes its choice based on imitating the feedback process using perturbed context-dependent utility estimates of the underlying CoLST model. If each arm is associated with a $d$-dimensional feature vector, we show that $\texttt{CoLSTIM}$ achieves a regret of order $\tilde O( \sqrt{dT})$ after $T$ learning rounds. Additionally, we also establish the optimality of $\texttt{CoLSTIM}$ by showing a lower bound for the weak regret that refines the existing average regret analysis. Our experiments demonstrate its superiority over state-of-art algorithms for special cases of CoLST models.  ( 3 min )

Simulated humanoids are an appealing research domain due to their physical capabilities. Nonetheless, they are also challenging to control, as a policy must drive an unstable, discontinuous, and high-dimensional physical system. One widely studied approach is to utilize motion capture (MoCap) data to teach the humanoid agent low-level skills (e.g., standing, walking, and running) that can then be re-used to synthesize high-level behaviors. However, even with MoCap data, controlling simulated humanoids remains very hard, as MoCap data offers only kinematic information. Finding physical control inputs to realize the demonstrated motions requires computationally intensive methods like reinforcement learning. Thus, despite the publicly available MoCap data, its utility has been limited to institutions with large-scale compute. In this work, we dramatically lower the barrier for productive research on this topic by training and releasing high-quality agents that can track over three hours of MoCap data for a simulated humanoid in the dm_control physics-based environment. We release MoCapAct (Motion Capture with Actions), a dataset of these expert agents and their rollouts, which contain proprioceptive observations and actions. We demonstrate the utility of MoCapAct by using it to train a single hierarchical policy capable of tracking the entire MoCap dataset within dm_control and show the learned low-level component can be re-used to efficiently learn downstream high-level tasks. Finally, we use MoCapAct to train an autoregressive GPT model and show that it can control a simulated humanoid to perform natural motion completion given a motion prompt. Videos of the results and links to the code and dataset are available at https://microsoft.github.io/MoCapAct.

Much literature has shown that prompt-based learning is an efficient method to make use of the large pre-trained language model. Recent works also exhibit the possibility of steering a chatbot's output by plugging in an appropriate prompt. Gradient-based methods are often used to perturb the prompts. However, some language models are not even available to the public. In this work, we first explored the combination of prompting and reinforcement learning (RL) to steer models' generation without accessing any of the models' parameters. Second, to reduce the training effort and enhance the generalizability to the unseen task, we apply multi-task learning to make the model learn to generalize to new tasks better. The experiment results show that our proposed method can successfully control several state-of-the-art (SOTA) dialogue models without accessing their parameters. Furthermore, the model demonstrates the strong ability to quickly adapt to an unseen task in fewer steps than the baseline model.

Tremendous progress has been made in reinforcement learning (RL) over the past decade. Most of these advancements came through the continual development of new algorithms, which were designed using a combination of mathematical derivations, intuitions, and experimentation. Such an approach of creating algorithms manually is limited by human understanding and ingenuity. In contrast, meta-learning provides a toolkit for automatic machine learning method optimisation, potentially addressing this flaw. However, black-box approaches which attempt to discover RL algorithms with minimal prior structure have thus far not outperformed existing hand-crafted algorithms. Mirror Learning, which includes RL algorithms, such as PPO, offers a potential middle-ground starting point: while every method in this framework comes with theoretical guarantees, components that differentiate them are subject to design. In this paper we explore the Mirror Learning space by meta-learning a "drift" function. We refer to the immediate result as Learnt Policy Optimisation (LPO). By analysing LPO we gain original insights into policy optimisation which we use to formulate a novel, closed-form RL algorithm, Discovered Policy Optimisation (DPO). Our experiments in Brax environments confirm state-of-the-art performance of LPO and DPO, as well as their transfer to unseen settings.

Humans are remarkably flexible in understanding viewpoint changes due to visual cortex supporting the perception of 3D structure. In contrast, most of the computer vision models that learn visual representation from a pool of 2D images often fail to generalize over novel camera viewpoints. Recently, the vision architectures have shifted towards convolution-free architectures, visual Transformers, which operate on tokens derived from image patches. However, these Transformers do not perform explicit operations to learn viewpoint-agnostic representation for visual understanding. To this end, we propose a 3D Token Representation Layer (3DTRL) that estimates the 3D positional information of the visual tokens and leverages it for learning viewpoint-agnostic representations. The key elements of 3DTRL include a pseudo-depth estimator and a learned camera matrix to impose geometric transformations on the tokens, trained in an unsupervised fashion. These enable 3DTRL to recover the 3D positional information of the tokens from 2D patches. In practice, 3DTRL is easily plugged-in into a Transformer. Our experiments demonstrate the effectiveness of 3DTRL in many vision tasks including image classification, multi-view video alignment, and action recognition. The models with 3DTRL outperform their backbone Transformers in all the tasks with minimal added computation. Our code is available at https://github.com/elicassion/3DTRL.

We present a rotated hyperbolic wrapped normal distribution (RoWN), a simple yet effective alteration of a hyperbolic wrapped normal distribution (HWN). The HWN expands the domain of probabilistic modeling from Euclidean to hyperbolic space, where a tree can be embedded with arbitrary low distortion in theory. In this work, we analyze the geometric properties of the diagonal HWN, a standard choice of distribution in probabilistic modeling. The analysis shows that the distribution is inappropriate to represent the data points at the same hierarchy level through their angular distance with the same norm in the Poincar\'e disk model. We then empirically verify the presence of limitations of HWN, and show how RoWN, the proposed distribution, can alleviate the limitations on various hierarchical datasets, including noisy synthetic binary tree, WordNet, and Atari 2600 Breakout. The code is available at https://github.com/ml-postech/RoWN.

There is an increasing interest in the use of Deep Learning (DL) based methods as a supporting analytical framework in oncology. However, most direct applications of DL will deliver models with limited transparency and explainability, which constrain their deployment in biomedical settings. This systematic review discusses DL models used to support inference in cancer biology with a particular emphasis on multi-omics analysis. It focuses on how existing models address the need for better dialogue with prior knowledge, biological plausibility and interpretability, fundamental properties in the biomedical domain. For this, we retrieved and analyzed 42 studies focusing on emerging architectural and methodological advances, the encoding of biological domain knowledge and the integration of explainability methods. We discuss the recent evolutionary arch of DL models in the direction of integrating prior biological relational and network knowledge to support better generalisation (e.g. pathways or Protein-Protein-Interaction networks) and interpretability. This represents a fundamental functional shift towards models which can integrate mechanistic and statistical inference aspects. We introduce a concept of bio-centric interpretability and according to its taxonomy, we discuss representational methodologies for the integration of domain prior knowledge in such models. The paper provides a critical outlook into contemporary methods for explainability and interpretabiltiy used in DL for cancer. The analysis points in the direction of a convergence between encoding prior knowledge and improved interpretability. We introduce bio-centric interpretability which is an important step towards formalisation of biological interpretability of DL models and developing methods that are less problem- or application-specific.

We aim to demonstrate in experiments that our cost-sensitive PEGASOS SVM (without synthetic majority oversampling/undersampling (SMOTE) ) achieves good performance on imbalanced data sets with a Majority to Minority Ratio ranging from 8.6:1 to 130:1. Although many resort to SMOTE methods, we aim for a less computational intensive method. We evaluate the performance by examining the learning curves. These curves diagnose whether we overfit or underfit or we choose overrepresentatuve or underrepresentative training/test data. We will also examine the effect of varying the hyperparameters via validation curves. We compare our PEGASOS Cost-Sensitive SVM's results on three of the datasets Ding analyzed using his LINEAR SVM DECIDL method. He obtained an ROC-AUC of .5 in one dataset. We consider that dataset the most promising use of kernel svm. Our work will extend the work of Ding by incorporating kernels into svm. We will use Python rather than matlab as python has dictionaries for storing mixed data types during multi-parameter cross-validation.

We study the decentralized optimization problem where a network of $n$ agents seeks to minimize the average of a set of heterogeneous non-convex cost functions distributedly. State-of-the-art decentralized algorithms like Exact Diffusion~(ED) and Gradient Tracking~(GT) involve communicating every iteration. However, communication is expensive, resource intensive, and slow. In this work, we analyze a locally updated GT method (LU-GT), where agents perform local recursions before interacting with their neighbors. While local updates have been shown to reduce communication overhead in practice, their theoretical influence has not been fully characterized. We show LU-GT has the same communication complexity as the Federated Learning setting but allows arbitrary network topologies. In addition, we prove that the number of local updates does not degrade the quality of the solution achieved by LU-GT. Numerical examples reveal that local updates can lower communication costs in certain regimes (e.g., well-connected graphs).

Multihop Question Answering is a complex Natural Language Processing task that requires multiple steps of reasoning to find the correct answer to a given question. Previous research has explored the use of models based on Graph Neural Networks for tackling this task. Various architectures have been proposed, including Relational Graph Convolutional Networks (RGCN). For these many node types and relations between them have been introduced, such as simple entity co-occurrences, modelling coreferences, or "reasoning paths" from questions to answers via intermediary entities. Nevertheless, a thoughtful analysis on which relations, node types, embeddings and architecture are the most beneficial for this task is still missing. In this paper we explore a number of RGCN-based Multihop QA models, graph relations, and node embeddings, and empirically explore the influence of each on Multihop QA performance on the WikiHop dataset.

To enable large-scale machine learning in bandwidth-hungry environments such as wireless networks, significant progress has been made recently in designing communication-efficient federated learning algorithms with the aid of communication compression. On the other end, privacy-preserving, especially at the client level, is another important desideratum that has not been addressed simultaneously in the presence of advanced communication compression techniques yet. In this paper, we propose a unified framework that enhances the communication efficiency of private federated learning with communication compression. Exploiting both general compression operators and local differential privacy, we first examine a simple algorithm that applies compression directly to differentially-private stochastic gradient descent, and identify its limitations. We then propose a unified framework SoteriaFL for private federated learning, which accommodates a general family of local gradient estimators including popular stochastic variance-reduced gradient methods and the state-of-the-art shifted compression scheme. We provide a comprehensive characterization of its performance trade-offs in terms of privacy, utility, and communication complexity, where SoteraFL is shown to achieve better communication complexity without sacrificing privacy nor utility than other private federated learning algorithms without communication compression.

Neural networks have shown great predictive power when dealing with various unstructured data such as images and natural languages. The Bayesian neural network captures the uncertainty of prediction by putting a prior distribution for the parameter of the model and computing the posterior distribution. In this paper, we show that the Bayesian neural network using spike-and-slab prior has consistency with nearly minimax convergence rate when the true regression function is in the Besov space. Even when the smoothness of the regression function is unknown the same posterior convergence rate holds and thus the spike-and-slab prior is adaptive to the smoothness of the regression function. We also consider the shrinkage prior, which is more feasible than other priors, and show that it has the same convergence rate. In other words, we propose a practical Bayesian neural network with guaranteed asymptotic properties.

In this paper, we consider a challenging but realistic continual learning (CL) problem, Few-Shot Continual Active Learning (FoCAL), where a CL agent is provided with unlabeled data for a new or a previously learned task in each increment and the agent only has limited labeling budget available. Towards this, we build on the continual learning and active learning literature and develop a framework that can allow a CL agent to continually learn new object classes from a few labeled training examples. Our framework represents each object class using a uniform Gaussian mixture model (GMM) and uses pseudo-rehearsal to mitigate catastrophic forgetting. The framework also uses uncertainty measures on the Gaussian representations of the previously learned classes to find the most informative samples to be labeled in an increment. We evaluate our approach on the CORe-50 dataset and on a real humanoid robot for the object classification task. The results show that our approach not only produces state-of-the-art results on the dataset but also allows a real robot to continually learn unseen objects in a real environment with limited labeling supervision provided by its user.

While parallelism has been extensively used in Reinforcement Learning (RL), the quantitative effects of parallel exploration are not well understood theoretically. We study the benefits of simple parallel exploration for reward-free RL in linear Markov decision processes (MDPs) and two-player zero-sum Markov games (MGs). In contrast to the existing literature focused on approaches that encourage agents to explore over a diverse set of policies, we show that using a single policy to guide exploration across all agents is sufficient to obtain an almost-linear speedup in all cases compared to their fully sequential counterpart. Further, we show that this simple procedure is near-minimax optimal in the reward-free setting for linear MDPs. From a practical perspective, our paper shows that a single policy is sufficient and provably near-optimal for incorporating parallelism during the exploration phase.

This paper proposes a new neural network architecture by introducing an additional dimension called height beyond width and depth. Neural network architectures with height, width, and depth as hyper-parameters are called three-dimensional architectures. It is shown that neural networks with three-dimensional architectures are significantly more expressive than the ones with two-dimensional architectures (those with only width and depth as hyper-parameters), e.g., standard fully connected networks. The new network architecture is constructed recursively via a nested structure, and hence we call a network with the new architecture nested network (NestNet). A NestNet of height $s$ is built with each hidden neuron activated by a NestNet of height $\le s-1$. When $s=1$, a NestNet degenerates to a standard network with a two-dimensional architecture. It is proved by construction that height-$s$ ReLU NestNets with $\mathcal{O}(n)$ parameters can approximate $1$-Lipschitz continuous functions on $[0,1]^d$ with an error $\mathcal{O}(n^{-(s+1)/d})$, while the optimal approximation error of standard ReLU networks with $\mathcal{O}(n)$ parameters is $\mathcal{O}(n^{-2/d})$. Furthermore, such a result is extended to generic continuous functions on $[0,1]^d$ with the approximation error characterized by the modulus of continuity. Finally, we use numerical experimentation to show the advantages of the super-approximation power of ReLU NestNets.

Graph-centric artificial intelligence (graph AI) has achieved remarkable success in modeling interacting systems prevalent in nature, from dynamical systems in biology to particle physics. The increasing heterogeneity of data calls for graph neural architectures that can combine multiple inductive biases. However, combining data from various sources is challenging because appropriate inductive bias may vary by data modality. Multimodal learning methods fuse multiple data modalities while leveraging cross-modal dependencies to address this challenge. Here, we survey 140 studies in graph-centric AI and realize that diverse data types are increasingly brought together using graphs and fed into sophisticated multimodal models. These models stratify into image-, language-, and knowledge-grounded multimodal learning. We put forward an algorithmic blueprint for multimodal graph learning based on this categorization. The blueprint serves as a way to group state-of-the-art architectures that treat multimodal data by choosing appropriately four different components. This effort can pave the way for standardizing the design of sophisticated multimodal architectures for highly complex real-world problems.

Neural Networks are known to be sensitive to initialisation. The methods that rely on neural networks for feature ranking are not robust since they can have variations in their ranking when the model is initialized and trained with different random seeds. In this work, we introduce a novel method based on parameter averaging to estimate accurate and robust feature importance in tabular data setting, referred as XTab. We first initialize and train multiple instances of a shallow network (referred as local masks) with "different random seeds" for a downstream task. We then obtain a global mask model by "averaging the parameters" of local masks. We show that although the parameter averaging might result in a global model with higher loss, it still leads to the discovery of the ground-truth feature importance more consistently than an individual model does. We conduct extensive experiments on a variety of synthetic and real-world data, demonstrating that the XTab can be used to obtain the global feature importance that is not sensitive to sub-optimal model initialisation.

In this work, a parameter-efficient attention module is presented for emotion classification using a limited, or relatively small, number of electroencephalogram (EEG) signals. This module is called the Monotonicity Constrained Attention Module (MCAM) due to its capability of incorporating priors on the monotonicity when converting features' Gram matrices into attention matrices for better feature refinement. Our experiments have shown that MCAM's effectiveness is comparable to state-of-the-art attention modules in boosting the backbone network's performance in prediction while requiring less parameters. Several accompanying sensitivity analyses on trained models' prediction concerning different attacks are also performed. These attacks include various frequency domain filtering levels and gradually morphing between samples associated with multiple labels. Our results can help better understand different modules' behaviour in prediction and can provide guidance in applications where data is limited and are with noises.

Volatility forecasts play a central role among equity risk measures. Besides traditional statistical models, modern forecasting techniques, based on machine learning, can readily be employed when treating volatility as a univariate, daily time-series. However, econometric studies have shown that increasing the number of daily observations with high-frequency intraday data helps to improve predictions. In this work, we propose DeepVol, a model based on Dilated Causal Convolutions to forecast day-ahead volatility by using high-frequency data. We show that the dilated convolutional filters are ideally suited to extract relevant information from intraday financial data, thereby naturally mimicking (via a data-driven approach) the econometric models which incorporate realised measures of volatility into the forecast. This allows us to take advantage of the abundance of intraday observations, helping us to avoid the limitations of models that use daily data, such as model misspecification or manually designed handcrafted features, whose devise involves optimising the trade-off between accuracy and computational efficiency and makes models prone to lack of adaptation into changing circumstances. In our analysis, we use two years of intraday data from NASDAQ-100 to evaluate DeepVol's performance. The reported empirical results suggest that the proposed deep learning-based approach learns global features from high-frequency data, achieving more accurate predictions than traditional methodologies, yielding to more appropriate risk measures.

With the rapid spread of COVID-19 worldwide, viral genomic data is available in the order of millions of sequences on public databases such as GISAID. This Big Data creates a unique opportunity for analysis towards the research of effective vaccine development for current pandemics, and avoiding or mitigating future pandemics. One piece of information that comes with every such viral sequence is the geographical location where it was collected -- the patterns found between viral variants and geographical location surely being an important part of this analysis. One major challenge that researchers face is processing such huge, highly dimensional data to obtain useful insights as quickly as possible. Most of the existing methods face scalability issues when dealing with the magnitude of such data. In this paper, we propose an approach that first computes a numerical representation of the spike protein sequence of SARS-CoV-2 using $k$-mers (substrings) and then uses several machine learning models to classify the sequences based on geographical location. We show that our proposed model significantly outperforms the baselines. We also show the importance of different amino acids in the spike sequences by computing the information gain corresponding to the true class labels.

Personalized Federated Learning (pFL), which utilizes and deploys distinct local models, has gained increasing attention in recent years due to its success in handling the statistical heterogeneity of FL clients. However, standardized evaluation and systematical analysis of diverse pFL methods remain a challenge. Firstly, the highly varied datasets, FL simulation settings and pFL implementations prevent easy and fair comparisons of pFL methods. Secondly, the current pFL literature diverges in the adopted evaluation and ablation protocols. Finally, the effectiveness and robustness of pFL methods are under-explored in various practical scenarios, such as the generalization to new clients and the participation of resource-limited clients. To tackle these challenges, we propose the first comprehensive pFL benchmark, pFL-Bench, for facilitating rapid, reproducible, standardized and thorough pFL evaluation. The proposed benchmark contains more than 10 dataset variants in various application domains with a unified data partition and realistic heterogeneous settings; a modularized and easy-to-extend pFL codebase with more than 20 competitive pFL method implementations; and systematic evaluations under containerized environments in terms of generalization, fairness, system overhead, and convergence. We highlight the benefits and potential of state-of-the-art pFL methods and hope the pFL-Bench enables further pFL research and broad applications that would otherwise be difficult owing to the absence of a dedicated benchmark. The code is released at https://github.com/alibaba/FederatedScope/tree/master/benchmark/pFL-Bench.

Learning the multivariate distribution of data is a core challenge in statistics and machine learning. Traditional methods aim for the probability density function (PDF) and are limited by the curse of dimensionality. Modern neural methods are mostly based on black-box models, lacking identifiability guarantees. In this work, we aim to learn multivariate cumulative distribution functions (CDFs), as they can handle mixed random variables, allow efficient box probability evaluation, and have the potential to overcome local sample scarcity owing to their cumulative nature. We show that any grid sampled version of a joint CDF of mixed random variables admits a universal representation as a naive Bayes model via the Canonical Polyadic (tensor-rank) decomposition. By introducing a low-rank model, either directly in the raw data domain, or indirectly in a transformed (Copula) domain, the resulting model affords efficient sampling, closed form inference and uncertainty quantification, and comes with uniqueness guarantees under relatively mild conditions. We demonstrate the superior performance of the proposed model in several synthetic and real datasets and applications including regression, sampling and data imputation. Interestingly, our experiments with real data show that it is possible to obtain better density/mass estimates indirectly via a low-rank CDF model, than a low-rank PDF/PMF model.

This paper shows that gradient boosting based on symmetric decision trees can be equivalently reformulated as a kernel method that converges to the solution of a certain Kernel Ridge Regression problem. Thus, we obtain the convergence to a Gaussian Process' posterior mean, which, in turn, allows us to easily transform gradient boosting into a sampler from the posterior to provide better knowledge uncertainty estimates through Monte-Carlo estimation of the posterior variance. We show that the proposed sampler allows for better knowledge uncertainty estimates leading to improved out-of-domain detection.

We tackle the communication efficiency challenge of learning kernelized contextual bandits in a distributed setting. Despite the recent advances in communication-efficient distributed bandit learning, existing solutions are restricted to simple models like multi-armed bandits and linear bandits, which hamper their practical utility. In this paper, instead of assuming the existence of a linear reward mapping from the features to the expected rewards, we consider non-linear reward mappings, by letting agents collaboratively search in a reproducing kernel Hilbert space (RKHS). This introduces significant challenges in communication efficiency as distributed kernel learning requires the transfer of raw data, leading to a communication cost that grows linearly w.r.t. time horizon $T$. We addresses this issue by equipping all agents to communicate via a common Nystr\"{o}m embedding that gets updated adaptively as more data points are collected. We rigorously proved that our algorithm can attain sub-linear rate in both regret and communication cost.

Vision Transformers (ViTs) enabled the use of the transformer architecture on vision tasks showing impressive performances when trained on big datasets. However, on relatively small datasets, ViTs are less accurate given their lack of inductive bias. To this end, we propose a simple but still effective Self-Supervised Learning (SSL) strategy to train ViTs, that without any external annotation or external data, can significantly improve the results. Specifically, we define a set of SSL tasks based on relations of image patches that the model has to solve before or jointly the supervised task. Differently from ViT, our RelViT model optimizes all the output tokens of the transformer encoder that are related to the image patches, thus exploiting more training signals at each training step. We investigated our methods on several image benchmarks finding that RelViT improves the SSL state-of-the-art methods by a large margin, especially on small datasets. Code is available at: https://github.com/guglielmocamporese/relvit.

In this paper, we study the combinatorial semi-bandits (CMAB) and focus on reducing the dependency of the batch-size $K$ in the regret bound, where $K$ is the total number of arms that can be pulled or triggered in each round. First, for the setting of CMAB with probabilistically triggered arms (CMAB-T), we discover a novel (directional) triggering probability and variance modulated (TPVM) condition that can replace the previously-used smoothness condition for various applications, such as cascading bandits, online network exploration and online influence maximization. Under this new condition, we propose a BCUCB-T algorithm with variance-aware confidence intervals and conduct regret analysis which reduces the $O(K)$ factor to $O(\log K)$ or $O(\log^2 K)$ in the regret bound, significantly improving the regret bounds for the above applications. Second, for the setting of non-triggering CMAB with independent arms, we propose a SESCB algorithm which leverages on the non-triggering version of the TPVM condition and completely removes the dependency on $K$ in the leading regret. As a valuable by-product, the regret analysis used in this paper can improve several existing results by a factor of $O(\log K)$. Finally, experimental evaluations show our superior performance compared with benchmark algorithms in different applications.

Electronic health records (EHRs) are usually highly dimensional, heterogeneous, and multimodal. Besides, the random recording of clinical variables results in high missing rates and uneven time intervals between adjacent records in the multivariate clinical time-series data extracted from EHRs. Current works using clinical time-series data for patient representation regard the patients' physiological status as a discrete process described by sporadically collected records. However, changes in the patient's physiological condition are continuous and dynamic processes. The perception of time and velocity of change is crucial for patient representation learning. In this study, we propose a time- and velocity-aware gated recurrent unit model (GRU-TV) for patient representation learning of clinical multivariate time-series data in a time-continuous manner. The neural ordinary differential equations (ODEs) and velocity perception mechanism are applied to perceive the time interval between adjacent records and changing rate of the patient's physiological status, respectively. Our experiments on two real clinical EHR datasets (PhysioNet2012, MIMIC-III) establish that GRU-TV is a robust model on computer-aided diagnosis (CAD) tasks, especially on sequences with high-variance time intervals.

Inverse Reinforcement Learning (IRL) is a powerful paradigm for inferring a reward function from expert demonstrations. Many IRL algorithms require a known transition model and sometimes even a known expert policy, or they at least require access to a generative model. However, these assumptions are too strong for many real-world applications, where the environment can be accessed only through sequential interaction. We propose a novel IRL algorithm: Active exploration for Inverse Reinforcement Learning (AceIRL), which actively explores an unknown environment and expert policy to quickly learn the expert's reward function and identify a good policy. AceIRL uses previous observations to construct confidence intervals that capture plausible reward functions and find exploration policies that focus on the most informative regions of the environment. AceIRL is the first approach to active IRL with sample-complexity bounds that does not require a generative model of the environment. AceIRL matches the sample complexity of active IRL with a generative model in the worst case. Additionally, we establish a problem-dependent bound that relates the sample complexity of AceIRL to the suboptimality gap of a given IRL problem. We empirically evaluate AceIRL in simulations and find that it significantly outperforms more naive exploration strategies.

Solving inverse problems, such as parameter estimation and optimal control, is a vital part of science. Many experiments repeatedly collect data and rely on machine learning algorithms to quickly infer solutions to the associated inverse problems. We find that state-of-the-art training techniques are not well-suited to many problems that involve physical processes. The highly nonlinear behavior, common in physical processes, results in strongly varying gradients that lead first-order optimizers like SGD or Adam to compute suboptimal optimization directions. We propose a novel hybrid training approach that combines higher-order optimization methods with machine learning techniques. We take updates from a scale-invariant inverse problem solver and embed them into the gradient-descent-based learning pipeline, replacing the regular gradient of the physical process. We demonstrate the capabilities of our method on a variety of canonical physical systems, showing that it yields significant improvements on a wide range of optimization and learning problems.

State-of-the-art Mixed Integer Linear Program (MILP) solvers combine systematic tree search with a plethora of hard-coded heuristics, such as the branching rule. The idea of learning branching rules from data has received increasing attention recently, and promising results have been obtained by learning fast approximations of the strong branching expert. In this work, we instead propose to learn branching rules from scratch via Reinforcement Learning (RL). We revisit the work of Etheve et al. (2020) and propose tree Markov Decision Processes, or tree MDPs, a generalization of temporal MDPs that provides a more suitable framework for learning to branch. We derive a tree policy gradient theorem, which exhibits a better credit assignment compared to its temporal counterpart. We demonstrate through computational experiments that tree MDPs improve the learning convergence, and offer a promising framework for tackling the learning-to-branch problem in MILPs.

We propose a general purpose Bayesian inference algorithm for expensive likelihoods, replacing the stochastic term in the Langevin equation with a deterministic density gradient term. The particle density is evaluated from the current particle positions using a Normalizing Flow (NF), which is differentiable and has good generalization properties in high dimensions. We take advantage of NF preconditioning and NF based Metropolis-Hastings updates for a faster convergence. We show on various examples that the method is competitive against state of the art sampling methods.

We initiate a formal study of reproducibility in optimization. We define a quantitative measure of reproducibility of optimization procedures in the face of noisy or error-prone operations such as inexact or stochastic gradient computations or inexact initialization. We then analyze several convex optimization settings of interest such as smooth, non-smooth, and strongly-convex objective functions and establish tight bounds on the limits of reproducibility in each setting. Our analysis reveals a fundamental trade-off between computation and reproducibility: more computation is necessary (and sufficient) for better reproducibility.

Obtaining the human-like perception ability of abstracting visual concepts from concrete pixels has always been a fundamental and important target in machine learning research fields such as disentangled representation learning and scene decomposition. Towards this goal, we propose an unsupervised transformer-based Visual Concepts Tokenization framework, dubbed VCT, to perceive an image into a set of disentangled visual concept tokens, with each concept token responding to one type of independent visual concept. Particularly, to obtain these concept tokens, we only use cross-attention to extract visual information from the image tokens layer by layer without self-attention between concept tokens, preventing information leakage across concept tokens. We further propose a Concept Disentangling Loss to facilitate that different concept tokens represent independent visual concepts. The cross-attention and disentangling loss play the role of induction and mutual exclusion for the concept tokens, respectively. Extensive experiments on several popular datasets verify the effectiveness of VCT on the tasks of disentangled representation learning and scene decomposition. VCT achieves the state of the art results by a large margin.

Recently, flat-minima optimizers, which seek to find parameters in low-loss neighborhoods, have been shown to improve a neural network's generalization performance over stochastic and adaptive gradient-based optimizers. Two methods have received significant attention due to their scalability: 1. Stochastic Weight Averaging (SWA), and 2. Sharpness-Aware Minimization (SAM). However, there has been limited investigation into their properties and no systematic benchmarking of them across different domains. We fill this gap here by comparing the loss surfaces of the models trained with each method and through broad benchmarking across computer vision, natural language processing, and graph representation learning tasks. We discover several surprising findings from these results, which we hope will help researchers further improve deep learning optimizers, and practitioners identify the right optimizer for their problem.

Uncertainty quantification has received increasing attention in machine learning in the recent past. In particular, a distinction between aleatoric and epistemic uncertainty has been found useful in this regard. The latter refers to the learner's (lack of) knowledge and appears to be especially difficult to measure and quantify. In this paper, we analyse a recent proposal based on the idea of a second-order learner, which yields predictions in the form of distributions over probability distributions. While standard (first-order) learners can be trained to predict accurate probabilities, namely by minimising suitable loss functions on sample data, we show that loss minimisation does not work for second-order predictors: The loss functions proposed for inducing such predictors do not incentivise the learner to represent its epistemic uncertainty in a faithful way.

Due to the increasing popularity of electric vehicles (EVs) and the technological advancement of EV electronics, the vehicle-to-grid (V2G) technique and large-scale scheduling algorithms have been developed to achieve a high level of renewable energy and power grid stability. This paper proposes a deep reinforcement learning (DRL) method for the continuous charging/discharging coordination strategy in aggregating large-scale EVs in V2G mode with renewable energy sources (RES). The DRL coordination strategy can efficiently optimize the electric vehicle aggregator's (EVA's) real-time charging/discharging power with the state of charge (SOC) constraints of the EVA and the individual EV. Compared with uncontrolled charging, the load variance is reduced by 97.37$\%$ and the charging cost by 76.56$\%$. The DRL coordination strategy further demonstrates outstanding transfer learning ability to microgrids with RES and large-scale EVA, as well as the complicated weekly scheduling. The DRL coordination strategy demonstrates flexible, adaptable, and scalable performance for the large-scale V2G under realistic operating conditions.

Adversarial training is exploited to develop a robust Deep Neural Network (DNN) model against the malicious altered data. These attacks may have catastrophic effects on DNN models but are indistinguishable for a human being. For example, an external attack can modify an image adding noises invisible for a human eye, but a DNN model misclassified the image. A key objective for developing robust DNN models is to use a learning algorithm that is fast but can also give model that is robust against different types of adversarial attacks. Especially for adversarial training, enormously long training times are needed for obtaining high accuracy under many different types of adversarial samples generated using different adversarial attack techniques. This paper aims at accelerating the adversarial training to enable fast development of robust DNN models against adversarial attacks. The general method for improving the training performance is the hyperparameters fine-tuning, where the learning rate is one of the most crucial hyperparameters. By modifying its shape (the value over time) and value during the training, we can obtain a model robust to adversarial attacks faster than standard training. First, we conduct experiments on two different datasets (CIFAR10, CIFAR100), exploring various techniques. Then, this analysis is leveraged to develop a novel fast training methodology, AccelAT, which automatically adjusts the learning rate for different epochs based on the accuracy gradient. The experiments show comparable results with the related works, and in several experiments, the adversarial training of DNNs using our AccelAT framework is conducted up to 2 times faster than the existing techniques. Thus, our findings boost the speed of adversarial training in an era in which security and performance are fundamental optimization objectives in DNN-based applications.

We address the general task of structured commonsense reasoning: given a natural language input, the goal is to generate a graph such as an event -- or a reasoning-graph. To employ large language models (LMs) for this task, existing approaches ``serialize'' the output graph as a flat list of nodes and edges. Although feasible, these serialized graphs strongly deviate from the natural language corpora that LMs were pre-trained on, hindering LMs from generating them correctly. In this paper, we show that when we instead frame structured commonsense reasoning tasks as code generation tasks, pre-trained LMs of code are better structured commonsense reasoners than LMs of natural language, even when the downstream task does not involve source code at all. We demonstrate our approach across three diverse structured commonsense reasoning tasks. In all these natural language tasks, we show that using our approach, a code generation LM (CODEX) outperforms natural-LMs that are fine-tuned on the target task (e.g., T5) and other strong LMs such as GPT-3 in the few-shot setting.

Despite their theoretical appealingness, Bayesian neural networks (BNNs) are left behind in real-world adoption, mainly due to persistent concerns on their scalability, accessibility, and reliability. In this work, we develop the BayesAdapter framework to relieve these concerns. In particular, we propose to adapt pre-trained deterministic NNs to be variational BNNs via cost-effective Bayesian fine-tuning. Technically, we develop a modularized implementation for the learning of variational BNNs, and refurbish the generally applicable exemplar reparameterization trick through exemplar parallelization to efficiently reduce the gradient variance in stochastic variational inference. Based on the lightweight Bayesian learning paradigm, we conduct extensive experiments on a variety of benchmarks, and show that our method can consistently induce posteriors with higher quality than competitive baselines, yet significantly reducing training overheads. Code is available at https://github.com/thudzj/ScalableBDL.

Most multi-view clustering methods are limited by shallow models without sound nonlinear information perception capability, or fail to effectively exploit complementary information hidden in different views. To tackle these issues, we propose a novel Subspace-Contrastive Multi-View Clustering (SCMC) approach. Specifically, SCMC utilizes view-specific auto-encoders to map the original multi-view data into compact features perceiving its nonlinear structures. Considering the large semantic gap of data from different modalities, we employ subspace learning to unify the multi-view data into a joint semantic space, namely the embedded compact features are passed through multiple self-expression layers to learn the subspace representations, respectively. In order to enhance the discriminability and efficiently excavate the complementarity of various subspace representations, we use the contrastive strategy to maximize the similarity between positive pairs while differentiate negative pairs. Thus, a weighted fusion scheme is developed to initially learn a consistent affinity matrix. Furthermore, we employ the graph regularization to encode the local geometric structure within varying subspaces for further fine-tuning the appropriate affinities between instances. To demonstrate the effectiveness of the proposed model, we conduct a large number of comparative experiments on eight challenge datasets, the experimental results show that SCMC outperforms existing shallow and deep multi-view clustering methods.

Deep neural networks (DNNs) have been shown to outperform traditional machine learning algorithms in a broad variety of application domains due to their effectiveness in modeling complex problems and handling high-dimensional datasets. Many real-life datasets, however, are of increasingly high dimensionality, where a large number of features may be irrelevant for both supervised and unsupervised learning tasks. The inclusion of such features would not only introduce unwanted noise but also increase computational complexity. Furthermore, due to high non-linearity and dependency among a large number of features, DNN models tend to be unavoidably opaque and perceived as black-box methods because of their not well-understood internal functioning. Their algorithmic complexity is often simply beyond the capacities of humans to understand the interplay among myriads of hyperparameters. A well-interpretable model can identify statistically significant features and explain the way they affect the model's outcome. In this paper, we propose an efficient method to improve the interpretability of black-box models for classification tasks in the case of high-dimensional datasets. First, we train a black-box model on a high-dimensional dataset to learn the embeddings on which the classification is performed. To decompose the inner working principles of the black-box model and to identify top-k important features, we employ different probing and perturbing techniques. We then approximate the behavior of the black-box model by means of an interpretable surrogate model on the top-k feature space. Finally, we derive decision rules and local explanations from the surrogate model to explain individual decisions. Our approach outperforms state-of-the-art methods like TabNet and XGboost when tested on different datasets with varying dimensionality between 50 and 20,000 w.r.t metrics and explainability.

To address the high communication costs of distributed machine learning, a large body of work has been devoted in recent years to designing various compression strategies, such as sparsification and quantization, and optimization algorithms capable of using them. Recently, Safaryan et al. (2021) pioneered a dramatically different compression design approach: they first use the local training data to form local smoothness matrices and then propose to design a compressor capable of exploiting the smoothness information contained therein. While this novel approach leads to substantial savings in communication, it is limited to sparsification as it crucially depends on the linearity of the compression operator. In this work, we generalize their smoothness-aware compression strategy to arbitrary unbiased compression operators, which also include sparsification. Specializing our results to stochastic quantization, we guarantee significant savings in communication complexity compared to standard quantization. In particular, we prove that block quantization with $n$ blocks theoretically outperforms single block quantization, leading to a reduction in communication complexity by an $\mathcal{O}(n)$ factor, where $n$ is the number of nodes in the distributed system. Finally, we provide extensive numerical evidence with convex optimization problems that our smoothness-aware quantization strategies outperform existing quantization schemes as well as the aforementioned smoothness-aware sparsification strategies with respect to three evaluation metrics: the number of iterations, the total amount of bits communicated, and wall-clock time.

Approximation of entropies of various types using machine learning (ML) regression methods is shown for the first time. The ML models presented in this study defines the complexity of short time series by approximating dissimilar entropy techniques such as Singular value decomposition entropy (SvdEn), Permutation entropy (PermEn), Sample entropy (SampEn) and Neural Network entropy (NNetEn) and their 2D analogies. A new method for calculating SvdEn2D, PermEn2D and SampEn2D for 2D images was tested using the technique of circular kernels. Training and test datasets on the basis of Sentinel-2 images are presented (2 train images and 198 test images). The results of entropy approximation are demonstrated using the example of calculating the 2D entropy of Sentinel-2 images and R2 metric evaluation. Applicability of the method for short time series with length from N = 5 to N = 113 elements is shown. A tendency for the R2 metric to decrease with an increase in the length of the time series was found. For SvdEn entropy, the regression accuracy is R2 > 0.99 for N = 5 and R2 > 0.82 for N = 113. The best metrics are observed for the ML_SvdEn2D and ML_NNetEn2D models. The results of the study can be used for fundamental research of entropy approximations of various types using ML regression, as well as for accelerating entropy calculations in remote sensing.

In this paper, we revisit pattern mining and study the distribution underlying a binary dataset thanks to the closure structure which is based on passkeys, i.e., minimum generators in equivalence classes robust to noise. We introduce $\Delta$-closedness, a generalization of the closure operator, where $\Delta$ measures how a closed set differs from its upper neighbors in the partial order induced by closure. A $\Delta$-class of equivalence includes minimum and maximum elements and allows us to characterize the distribution underlying the data. Moreover, the set of $\Delta$-classes of equivalence can be partitioned into the so-called $\Delta$-closure structure. In particular, a $\Delta$-class of equivalence with a high level demonstrates correlations among many attributes, which are supported by more observations when $\Delta$ is large. In the experiments, we study the $\Delta$-closure structure of several real-world datasets and show that this structure is very stable for large $\Delta$ and does not substantially depend on the data sampling used for the analysis.

Despite the potential of federated learning, it is known to be vulnerable to backdoor attacks. Many robust federated aggregation methods are proposed to reduce the potential backdoor risk. However, they are mainly validated in the CV field. In this paper, we find that NLP backdoors are hard to defend against than CV, and we provide a theoretical analysis that the malicious update detection error probabilities are determined by the relative backdoor strengths. NLP attacks tend to have small relative backdoor strengths, which may result in the failure of robust federated aggregation methods for NLP attacks. Inspired by the theoretical results, we can choose some dimensions with higher backdoor strengths to settle this issue. We propose a novel federated aggregation algorithm, Dim-Krum, for NLP tasks, and experimental results validate its effectiveness.

Access plan recommendation is a query optimization approach that executes new queries using prior created query execution plans (QEPs). The query optimizer divides the query space into clusters in the mentioned method. However, traditional clustering algorithms take a significant amount of execution time for clustering such large datasets. The MapReduce distributed computing model provides efficient solutions for storing and processing vast quantities of data. Apache Spark and Apache Hadoop frameworks are used in the present investigation to cluster different sizes of query datasets in the MapReduce-based access plan recommendation method. The performance evaluation is performed based on execution time. The results of the experiments demonstrated the effectiveness of parallel query clustering in achieving high scalability. Furthermore, Apache Spark achieved better performance than Apache Hadoop, reaching an average speedup of 2x.

In recent years, we have seen a handful of work on inference algorithms over non-stationary data streams. Given their flexibility, Bayesian non-parametric models are a good candidate for these scenarios. However, reliable streaming inference under the concept drift phenomenon is still an open problem for these models. In this work, we propose a variational inference algorithm for Dirichlet process mixture models. Our proposal deals with the concept drift by including an exponential forgetting over the prior global parameters. Our algorithm allows to adapt the learned model to the concept drifts automatically. We perform experiments in both synthetic and real data, showing that the proposed model is competitive with the state-of-the-art algorithms in the density estimation problem, and it outperforms them in the clustering problem.

In e-commerce industry, graph neural network methods are the new trends for transaction risk modeling.The power of graph algorithms lie in the capability to catch transaction linking network information, which is very hard to be captured by other algorithms.However, in most existing approaches, transaction or user connections are defined by hard link strategies on shared properties, such as same credit card, same device, same ip address, same shipping address, etc. Those types of strategies will result in sparse linkages by entities with strong identification characteristics (ie. device) and over-linkages by entities that could be widely shared (ie. ip address), making it more difficult to learn useful information from graph. To address aforementioned problems, we present a novel behavioral biometric based method to establish transaction linkings based on user behavioral similarities, then train an unsupervised GNN to extract embedding features for downstream fraud prediction tasks. To our knowledge, this is the first time similarity based soft link has been used in graph embedding applications. To speed up similarity calculation, we apply an in-house GPU based HDBSCAN clustering method to remove highly concentrated and isolated nodes before graph construction. Our experiments show that embedding features learned from similarity based behavioral graph have achieved significant performance increase to the baseline fraud detection model in various business scenarios. In new guest buyer transaction scenario, this segment is a challenge for traditional method, we can make precision increase from 0.82 to 0.86 at the same recall of 0.27, which means we can decrease false positive rate using this method.

In many applications, signal denoising is often the first pre-processing step before any subsequent analysis or learning task. In this paper, we propose to apply a deep learning denoising model inspired by a signal processing, a learnable version of wavelet packet transform. The proposed algorithm has signficant learning capabilities with few interpretable parameters and has an intuitive initialisation. We propose a post-learning modification of the parameters to adapt the denoising to different noise levels. We evaluate the performance of the proposed methodology on two case studies and compare it to other state of the art approaches, including wavelet schrinkage denoising, convolutional neural network, autoencoder and U-net deep models. The first case study is based on designed functions that have typically been used to study denoising properties of the algorithms. The second case study is an audio background removal task. We demonstrate how the proposed algorithm relates to the universality of signal processing methods and the learning capabilities of deep learning approaches. In particular, we evaluate the obtained denoising performances on structured noisy signals inside and outside the classes used for training. In addition to having good performance in denoising signals inside and outside to the training class, our method shows to be particularly robust when different noise levels, noise types and artifacts are added.

Many interesting tasks in image restoration can be cast as linear inverse problems. A recent family of approaches for solving these problems uses stochastic algorithms that sample from the posterior distribution of natural images given the measurements. However, efficient solutions often require problem-specific supervised training to model the posterior, whereas unsupervised methods that are not problem-specific typically rely on inefficient iterative methods. This work addresses these issues by introducing Denoising Diffusion Restoration Models (DDRM), an efficient, unsupervised posterior sampling method. Motivated by variational inference, DDRM takes advantage of a pre-trained denoising diffusion generative model for solving any linear inverse problem. We demonstrate DDRM's versatility on several image datasets for super-resolution, deblurring, inpainting, and colorization under various amounts of measurement noise. DDRM outperforms the current leading unsupervised methods on the diverse ImageNet dataset in reconstruction quality, perceptual quality, and runtime, being 5x faster than the nearest competitor. DDRM also generalizes well for natural images out of the distribution of the observed ImageNet training set.

Stochastic Programming is a powerful modeling framework for decision-making under uncertainty. In this work, we tackle two-stage stochastic programs (2SPs), the most widely used class of stochastic programming models. Solving 2SPs exactly requires optimizing over an expected value function that is computationally intractable. Having a mixed-integer linear program (MIP) or a nonlinear program (NLP) in the second stage further aggravates the intractability, even when specialized algorithms that exploit problem structure are employed. Finding high-quality (first-stage) solutions -- without leveraging problem structure -- can be crucial in such settings. We develop Neur2SP, a new method that approximates the expected value function via a neural network to obtain a surrogate model that can be solved more efficiently than the traditional extensive formulation approach. Neur2SP makes no assumptions about the problem structure, in particular about the second-stage problem, and can be implemented using an off-the-shelf MIP solver. Our extensive computational experiments on four benchmark 2SP problem classes with different structures (containing MIP and NLP second-stage problems) demonstrate the efficiency (time) and efficacy (solution quality) of Neur2SP. In under 1.66 seconds, Neur2SP finds high-quality solutions across all problems even as the number of scenarios increases, an ideal property that is difficult to have for traditional 2SP solution techniques. Namely, the most generic baseline method typically requires minutes to hours to find solutions of comparable quality.

Sustainability requires increased energy efficiency with minimal waste. The future power systems should thus provide high levels of flexibility iin controling energy consumption. Precise projections of future energy demand/load at the aggregate and on the individual site levels are of great importance for decision makers and professionals in the energy industry. Forecasting energy loads has become more advantageous for energy providers and customers, allowing them to establish an efficient production strategy to satisfy demand. This study introduces two hybrid cascaded models for forecasting multistep household power consumption in different resolutions. The first model integrates Stationary Wavelet Transform (SWT), as an efficient signal preprocessing technique, with Convolutional Neural Networks and Long Short Term Memory (LSTM). The second hybrid model combines SWT with a self-attention based neural network architecture named transformer. The major constraint of using time-frequency analysis methods such as SWT in multistep energy forecasting problems is that they require sequential signals, making signal reconstruction problematic in multistep forecasting applications.The cascaded models can efficiently address this problem through using the recursive outputs. Experimental results show that the proposed hybrid models achieve superior prediction performance compared to the existing multistep power consumption prediction methods. The results will pave the way for more accurate and reliable forecasting of household power consumption.

We investigate whether self-supervised learning (SSL) can improve online reinforcement learning (RL) from pixels. We extend the contrastive reinforcement learning framework (e.g., CURL) that jointly optimizes SSL and RL losses and conduct an extensive amount of experiments with various self-supervised losses. Our observations suggest that the existing SSL framework for RL fails to bring meaningful improvement over the baselines only taking advantage of image augmentation when the same amount of data and augmentation is used. We further perform evolutionary searches to find the optimal combination of multiple self-supervised losses for RL, but find that even such a loss combination fails to meaningfully outperform the methods that only utilize carefully designed image augmentations. After evaluating these approaches together in multiple different environments including a real-world robot environment, we confirm that no single self-supervised loss or image augmentation method can dominate all environments and that the current framework for joint optimization of SSL and RL is limited. Finally, we conduct the ablation study on multiple factors and demonstrate the properties of representations learned with different approaches.

Deep matrix factorizations (deep MFs) are recent unsupervised data mining techniques inspired by constrained low-rank approximations. They aim to extract complex hierarchies of features within high-dimensional datasets. Most of the loss functions proposed in the literature to evaluate the quality of deep MF models and the underlying optimization frameworks are not consistent because different losses are used at different layers. In this paper, we introduce two meaningful loss functions for deep MF and present a generic framework to solve the corresponding optimization problems. We illustrate the effectiveness of this approach through the integration of various constraints and regularizations, such as sparsity, nonnegativity and minimum-volume. The models are successfully applied on both synthetic and real data, namely for hyperspectral unmixing and extraction of facial features.

Ensembling neural networks is an effective way to increase accuracy, and can often match the performance of individual larger models. This observation poses a natural question: given the choice between a deep ensemble and a single neural network with similar accuracy, is one preferable over the other? Recent work suggests that deep ensembles may offer distinct benefits beyond predictive power: namely, uncertainty quantification and robustness to dataset shift. In this work, we demonstrate limitations to these purported benefits, and show that a single (but larger) neural network can replicate these qualities. First, we show that ensemble diversity, by any metric, does not meaningfully contribute to an ensemble's uncertainty quantification on out-of-distribution (OOD) data, but is instead highly correlated with the relative improvement of a single larger model. Second, we show that the OOD performance afforded by ensembles is strongly determined by their in-distribution (InD) performance, and -- in this sense -- is not indicative of any "effective robustness". While deep ensembles are a practical way to achieve improvements to predictive power, uncertainty quantification, and robustness, our results show that these improvements can be replicated by a (larger) single model.

Efficient transformer variants with linear time complexity have been developed to mitigate the quadratic computational overhead of the vanilla transformer. Among them are low-rank projection methods such as Linformer and kernel-based Transformers. Despite their unique merits, they usually suffer from a performance drop comparing with the vanilla transformer on many sequence generation tasks, and often fail to obtain computation gain when the generation is short. We propose MemSizer, an approach towards closing the performance gap while improving the efficiency even with short generation. It projects the source sequences into lower dimension representations like Linformer, while enjoying efficient recurrent-style incremental computation similar to kernel-based transformers. This yields linear computation time and constant memory complexity at inference time. MemSizer also employs a lightweight multi-head mechanism which renders the computation as light as a single-head model. We demonstrate that MemSizer provides an improved balance between efficiency and accuracy over the vanilla transformer and other efficient transformer variants in three typical sequence generation tasks, including machine translation, abstractive text summarization, and language modeling.

Neural fields have rapidly been adopted for representing 3D signals, but their application to more classical 2D image-processing has been relatively limited. In this paper, we consider one of the most important operations in image processing: upsampling. In deep learning, learnable upsampling layers have extensively been used for single image super-resolution. We propose to parameterize upsampling kernels as neural fields. This parameterization leads to a compact architecture that obtains a 40-fold reduction in the number of parameters when compared with competing arbitrary-scale super-resolution architectures. When upsampling images of size 256x256 we show that our architecture is 2x-10x more efficient than competing arbitrary-scale super-resolution architectures, and more efficient than sub-pixel convolutions when instantiated to a single-scale model. In the general setting, these gains grow polynomially with the square of the target scale. We validate our method on standard benchmarks showing such efficiency gains can be achieved without sacrifices in super-resolution performance.

Federated Recommendation (FR) has received considerable popularity and attention in the past few years. In FR, for each user, its feature vector and interaction data are kept locally on its own client thus are private to others. Without the access to above information, most existing poisoning attacks against recommender systems or federated learning lose validity. Benifiting from this characteristic, FR is commonly considered fairly secured. However, we argue that there is still possible and necessary security improvement could be made in FR. To prove our opinion, in this paper we present FedRecAttack, a model poisoning attack to FR aiming to raise the exposure ratio of target items. In most recommendation scenarios, apart from private user-item interactions (e.g., clicks, watches and purchases), some interactions are public (e.g., likes, follows and comments). Motivated by this point, in FedRecAttack we make use of the public interactions to approximate users' feature vectors, thereby attacker can generate poisoned gradients accordingly and control malicious users to upload the poisoned gradients in a well-designed way. To evaluate the effectiveness and side effects of FedRecAttack, we conduct extensive experiments on three real-world datasets of different sizes from two completely different scenarios. Experimental results demonstrate that our proposed FedRecAttack achieves the state-of-the-art effectiveness while its side effects are negligible. Moreover, even with small proportion (3%) of malicious users and small proportion (1%) of public interactions, FedRecAttack remains highly effective, which reveals that FR is more vulnerable to attack than people commonly considered.

Given a nonnegative matrix factorization, $R$, and a factorization rank, $r$, Exact nonnegative matrix factorization (Exact NMF) decomposes $R$ as the product of two nonnegative matrices, $C$ and $S$ with $r$ columns, such as $R = CS^\top$. A central research topic in the literature is the conditions under which such a decomposition is unique/identifiable, up to trivial ambiguities. In this paper, we focus on partial identifiability, that is, the uniqueness of a subset of columns of $C$ and $S$. We start our investigations with the data-based uniqueness (DBU) theorem from the chemometrics literature. The DBU theorem analyzes all feasible solutions of Exact NMF, and relies on sparsity conditions on $C$ and $S$. We provide a mathematically rigorous theorem of a recently published restricted version of the DBU theorem, relying only on simple sparsity and algebraic conditions: it applies to a particular solution of Exact NMF (as opposed to all feasible solutions) and allows us to guarantee the partial uniqueness of a single column of $C$ or $S$. Second, based on a geometric interpretation of the restricted DBU theorem, we obtain a new partial identifiability result. This geometric interpretation also leads us to another partial identifiability result in the case $r=3$. Third, we show how partial identifiability results can be used sequentially to guarantee the identifiability of more columns of $C$ and $S$. We illustrate these results on several examples, including one from the chemometrics literature.

We introduce \textit{HALO} -- a deep generative model utilising HAmiltonian Latent Operators to reliably disentangle content and motion information in image sequences. The \textit{content} represents summary statistics of a sequence, and \textit{motion} is a dynamic process that determines how information is expressed in any part of the sequence. By modelling the dynamics as a Hamiltonian motion, important desiderata are ensured: (1) the motion is reversible, (2) the symplectic, volume-preserving structure in phase space means paths are continuous and are not divergent in the latent space. Consequently, the nearness of sequence frames is realised by the nearness of their coordinates in the phase space, which proves valuable for disentanglement and long-term sequence generation. The sequence space is generally comprised of different types of dynamical motions. To ensure long-term separability and allow controlled generation, we associate every motion with a unique Hamiltonian that acts in its respective subspace. We demonstrate the utility of \textit{HALO} by swapping the motion of a pair of sequences, controlled generation, and image rotations.

We introduce in this paper a new statistical perspective, exploiting the Jaccard similarity metric, as a measure-based metric to effectively invoke non-linear features in the loss of self-supervised contrastive learning. Specifically, our proposed metric may be interpreted as a dependence measure between two adapted projections learned from the so-called latent representations. This is in contrast to the cosine similarity measure in the conventional contrastive learning model, which accounts for correlation information. To the best of our knowledge, this effectively non-linearly fused information embedded in the Jaccard similarity, is novel to self-supervision learning with promising results. The proposed approach is compared to two state-of-the-art self-supervised contrastive learning methods on three image datasets. We not only demonstrate its amenable applicability in current ML problems, but also its improved performance and training efficiency.

Fair prediction across protected groups is an important constraint for many federated learning applications. However, prior work studying group fair federated learning lacks formal convergence or fairness guarantees. In this work we propose a general framework for provably fair federated learning. In particular, we explore and extend the notion of Bounded Group Loss as a theoretically-grounded approach for group fairness. Using this setup, we propose a scalable federated optimization method that optimizes the empirical risk under a number of group fairness constraints. We provide convergence guarantees for the method as well as fairness guarantees for the resulting solution. Empirically, we evaluate our method across common benchmarks from fair ML and federated learning, showing that it can provide both fairer and more accurate predictions than baseline approaches.

There has been a rapidly growing interest in Automatic Symptom Detection (ASD) and Automatic Diagnosis (AD) systems in the machine learning research literature, aiming to assist doctors in telemedicine services. These systems are designed to interact with patients, collect evidence about their symptoms and relevant antecedents, and possibly make predictions about the underlying diseases. Doctors would review the interactions, including the evidence and the predictions, collect if necessary additional information from patients, before deciding on next steps. Despite recent progress in this area, an important piece of doctors' interactions with patients is missing in the design of these systems, namely the differential diagnosis. Its absence is largely due to the lack of datasets that include such information for models to train on. In this work, we present a large-scale synthetic dataset of roughly 1.3 million patients that includes a differential diagnosis, along with the ground truth pathology, symptoms and antecedents for each patient. Unlike existing datasets which only contain binary symptoms and antecedents, this dataset also contains categorical and multi-choice symptoms and antecedents useful for efficient data collection. Moreover, some symptoms are organized in a hierarchy, making it possible to design systems able to interact with patients in a logical way. As a proof-of-concept, we extend two existing AD and ASD systems to incorporate the differential diagnosis, and provide empirical evidence that using differentials as training signals is essential for the efficiency of such systems or for helping doctors better understand the reasoning of those systems.

The stochastic heavy ball method (SHB), also known as stochastic gradient descent (SGD) with Polyak's momentum, is widely used in training neural networks. However, despite the remarkable success of such algorithm in practice, its theoretical characterization remains limited. In this paper, we focus on neural networks with two and three layers and provide a rigorous understanding of the properties of the solutions found by SHB: \emph{(i)} stability after dropping out part of the neurons, \emph{(ii)} connectivity along a low-loss path, and \emph{(iii)} convergence to the global optimum. To achieve this goal, we take a mean-field view and relate the SHB dynamics to a certain partial differential equation in the limit of large network widths. This mean-field perspective has inspired a recent line of work focusing on SGD while, in contrast, our paper considers an algorithm with momentum. More specifically, after proving existence and uniqueness of the limit differential equations, we show convergence to the global optimum and give a quantitative bound between the mean-field limit and the SHB dynamics of a finite-width network. Armed with this last bound, we are able to establish the dropout-stability and connectivity of SHB solutions.

Accurate short-term passenger flow prediction in urban rail transit stations has great benefits for reasonably allocating resources, easing congestion, and reducing operational risks. However, compared with data-rich stations, the passenger flow prediction in newly-operated stations is limited by passenger flow data volume, which would reduce the prediction accuracy and increase the difficulty for station management and operation. Hence, how accurately predicting passenger flow in newly-operated stations with limited data is an urgent problem to be solved. Existing passenger flow prediction approaches generally depend on sufficient data, which might be unsuitable for newly-operated stations. Therefore, we propose a meta-learning method named Meta Long Short-Term Memory Network (Meta-LSTM) to predict the passenger flow in newly-operated stations. The Meta-LSTM is to construct a framework that increases the generalization ability of long short-term memory network (LSTM) to various passenger flow characteristics by learning passenger flow characteristics from multiple data-rich stations and then applying the learned parameter to data-scarce stations by parameter initialization. The Meta-LSTM is applied to the subway network of Nanning, Hangzhou, and Beijing, China. The experiments on three real-world subway networks demonstrate the effectiveness of our proposed Meta-LSTM over several competitive baseline models. Results also show that our proposed Meta-LSTM has a good generalization ability to various passenger flow characteristics, which can provide a reference for passenger flow prediction in the stations with limited data.

We introduce a simple but general online learning framework in which a learner plays against an adversary in a vector-valued game that changes every round. Even though the learner's objective is not convex-concave (and so the minimax theorem does not apply), we give a simple algorithm that can compete with the setting in which the adversary must announce their action first, with optimally diminishing regret. We demonstrate the power of our framework by using it to (re)derive optimal bounds and efficient algorithms across a variety of domains, ranging from multicalibration to a large set of no regret algorithms, to a variant of Blackwell's approachability theorem for polytopes with fast convergence rates. As a new application, we show how to ``(multi)calibeat'' an arbitrary collection of forecasters -- achieving an exponentially improved dependence on the number of models we are competing against, compared to prior work.

In drug discovery, aqueous solubility is an important pharmacokinetic property which affects absorption and assay availability of drug. Thus, in silico prediction of solubility has been studied for its utility in virtual screening and lead optimization. Recently, machine learning (ML) methods using experimental data has been popular because physics-based methods like quantum mechanics and molecular dynamics are not suitable for high-throughput tasks due to its computational costs. However, ML method can exhibit over-fitting problem in a data-deficient condition, and this is the case for most chemical property datasets. In addition, ML methods are regarded as a black box function in that it is difficult to interpret contribution of hidden features to outputs, hindering analysis and modification of structure-activity relationship. To deal with mentioned issues, we developed Bayesian graph neural networks (GNNs) with the self-attention readout layer. Unlike most GNNs using self-attention in node updates, self-attention applied at readout layer enabled a model to improve prediction performance as well as to identify atom-wise importance, which can help lead optimization as exemplified for three FDA-approved drugs. Also, Bayesian inference enables us to separate more or less accurate results according to uncertainty in solubility prediction task We expect that our accurate, reliable and interpretable model can be used for more careful decision-making and various applications in the development of drugs.

In reasoning about sequential events it is natural to pose probabilistic queries such as "when will event A occur next" or "what is the probability of A occurring before B", with applications in areas such as user modeling, medicine, and finance. However, with machine learning shifting towards neural autoregressive models such as RNNs and transformers, probabilistic querying has been largely restricted to simple cases such as next-event prediction. This is in part due to the fact that future querying involves marginalization over large path spaces, which is not straightforward to do efficiently in such models. In this paper we introduce a general typology for predictive queries in neural autoregressive sequence models and show that such queries can be systematically represented by sets of elementary building blocks. We leverage this typology to develop new query estimation methods based on beam search, importance sampling, and hybrids. Across four large-scale sequence datasets from different application domains, as well as for the GPT-2 language model, we demonstrate the ability to make query answering tractable for arbitrary queries in exponentially-large predictive path-spaces, and find clear differences in cost-accuracy tradeoffs between search and sampling methods.

Advances in I.T. infrastructure has led to the collection of longer sequences of time-series. Such sequences are typically non-stationary, exhibiting distribution shifts over time -- a challenging scenario for the forecasting task, due to the problems of covariate shift, and conditional distribution shift. In this paper, we show that deep time-index models possess strong synergies with a meta-learning formulation of forecasting, displaying significant advantages over existing neural forecasting methods in tackling the problems arising from non-stationarity. These advantages include having a stronger smoothness prior, avoiding the problem of covariate shift, and having better sample efficiency. To this end, we propose DeepTime, a deep time-index model trained via meta-learning. Extensive experiments on real-world datasets in the long sequence time-series forecasting setting demonstrate that our approach achieves competitive results with state-of-the-art methods, and is highly efficient. Code is available at https://github.com/salesforce/DeepTime.

Explaining machine learning models is an important and increasingly popular area of research interest. The Shapley value from game theory has been proposed as a prime approach to compute feature importance towards model predictions on images, text, tabular data, and recently graph neural networks (GNNs) on graphs. In this work, we revisit the appropriateness of the Shapley value for GNN explanation, where the task is to identify the most important subgraph and constituent nodes for GNN predictions. We claim that the Shapley value is a non-ideal choice for graph data because it is by definition not structure-aware. We propose a Graph Structure-aware eXplanation (GStarX) method to leverage the critical graph structure information to improve the explanation. Specifically, we define a scoring function based on a new structure-aware value from the cooperative game theory proposed by Hamiache and Navarro (HN). When used to score node importance, the HN value utilizes graph structures to attribute cooperation surplus between neighbor nodes, resembling message passing in GNNs, so that node importance scores reflect not only the node feature importance, but also the node structural roles. We demonstrate that GStarX produces qualitatively more intuitive explanations, and quantitatively improves explanation fidelity over strong baselines on chemical graph property prediction and text graph sentiment classification.

Deep neural networks are vulnerable to adversarial examples (AEs), which have adversarial transferability: AEs generated for the source model can mislead another (target) model's predictions. However, the transferability has not been understood from the perspective of to which class target model's predictions were misled (i.e., class-aware transferability). In this paper, we differentiate the cases in which a target model predicts the same wrong class as the source model ("same mistake") or a different wrong class ("different mistake") to analyze and provide an explanation of the mechanism. First, our analysis shows (1) that AEs tend to cause same mistakes, correlating with "non-targeted transferability," and (2) that different mistakes occur between similar models regardless of the perturbation size. Second, we present evidence that the difference in same mistakes and different mistakes can be explained by non-robust features, predictive but human-uninterpretable patterns: different mistakes occur when non-robust features in AEs are used differently by models. Non-robust features can thus provide consistent explanations for the class-aware transferability of AEs.

Data augmentation is commonly applied to improve performance of deep learning by enforcing the knowledge that certain transformations on the input preserve the output. Currently, the data augmentation parameters are chosen by human effort and costly cross-validation, which makes it cumbersome to apply to new datasets. We develop a convenient gradient-based method for selecting the data augmentation without validation data during training of a deep neural network. Our approach relies on phrasing data augmentation as an invariance in the prior distribution on the functions of a neural network, which allows us to learn it using Bayesian model selection. This has been shown to work in Gaussian processes, but not yet for deep neural networks. We propose a differentiable Kronecker-factored Laplace approximation to the marginal likelihood as our objective, which can be optimised without human supervision or validation data. We show that our method can successfully recover invariances present in the data, and that this improves generalisation and data efficiency on image datasets.

Most PAC-Bayesian bounds hold in the batch learning setting where data is collected at once, prior to inference or prediction. This somewhat departs from many contemporary learning problems where data streams are collected and the algorithms must dynamically adjust. We prove new PAC-Bayesian bounds in this online learning framework, leveraging an updated definition of regret, and we revisit classical PAC-Bayesian results with a batch-to-online conversion, extending their remit to the case of dependent data. Our results hold for bounded losses, potentially \emph{non-convex}, paving the way to promising developments in online learning.

Contextual bandit algorithms have been recently studied under the federated learning setting to satisfy the demand of keeping data decentralized and pushing the learning of bandit models to the client side. But limited by the required communication efficiency, existing solutions are restricted to linear models to exploit their closed-form solutions for parameter estimation. Such a restricted model choice greatly hampers these algorithms' practical utility. In this paper, we take the first step to addressing this challenge by studying generalized linear bandit models under the federated learning setting. We propose a communication-efficient solution framework that employs online regression for local update and offline regression for global update. We rigorously proved, though the setting is more general and challenging, our algorithm can attain sub-linear rate in both regret and communication cost, which is also validated by our extensive empirical evaluations.

Multi-view graph clustering (MGC) methods are increasingly being studied due to the rising of multi-view data with graph structural information. The critical point of MGC is to better utilize the view-specific and view-common information in features and graphs of multiple views. However, existing works have an inherent limitation that they are unable to concurrently utilize the consensus graph information across multiple graphs and the view-specific feature information. To address this issue, we propose Variational Graph Generator for Multi-View Graph Clustering (VGMGC). Specifically, a novel variational graph generator is proposed to infer a reliable variational consensus graph based on a priori assumption over multiple graphs. Then a simple yet effective graph encoder in conjunction with the multi-view clustering objective is presented to learn the desired graph embeddings for clustering, which embeds the consensus and view-specific graphs together with features. Finally, theoretical results illustrate the rationality of VGMGC by analyzing the uncertainty of the inferred consensus graph with information bottleneck principle. Extensive experiments demonstrate the superior performance of our VGMGC over SOTAs.

Computing the Bayesian posterior of a neural network is a challenging task due to the high-dimensionality of the parameter space. Anchored ensembles approximate the posterior by training an ensemble of neural networks on anchored losses designed for the optima to follow the Bayesian posterior. Training an ensemble, however, becomes computationally expensive as its number of members grows since the full training procedure is repeated for each member. In this note, we present Sequential Anchored Ensembles (SAE), a lightweight alternative to anchored ensembles. Instead of training each member of the ensemble from scratch, the members are trained sequentially on losses sampled with high auto-correlation, hence enabling fast convergence of the neural networks and efficient approximation of the Bayesian posterior. SAE outperform anchored ensembles, for a given computational budget, on some benchmarks while showing comparable performance on the others and achieved 2nd and 3rd place in the light and extended tracks of the NeurIPS 2021 Approximate Inference in Bayesian Deep Learning competition.

Kernel matrix-vector multiplication (KMVM) is a foundational operation in machine learning and scientific computing. However, as KMVM tends to scale quadratically in both memory and time, applications are often limited by these computational constraints. In this paper, we propose a novel approximation procedure coined \textit{Faster-Fast and Free Memory Method} ($\fthreem$) to address these scaling issues of KMVM for tall~($10^8\sim 10^9$) and skinny~($D\leq7$) data. Extensive experiments demonstrate that $\fthreem$ has empirical \emph{linear time and memory} complexity with a relative error of order $10^{-3}$ and can compute a full KMVM for a billion points \emph{in under a minute} on a high-end GPU, leading to a significant speed-up in comparison to existing CPU methods. We demonstrate the utility of our procedure by applying it as a drop-in for the state-of-the-art GPU-based linear solver FALKON, \emph{improving speed 1.5-5.5 times} at the cost of $<1\%$ drop in accuracy. We further demonstrate competitive results on \emph{Gaussian Process regression} coupled with significant speedups on a variety of real-world datasets.

Data continuously emitted from industrial ecosystems such as social or e-commerce platforms are commonly represented as heterogeneous graphs (HG) composed of multiple node/edge types. State-of-the-art graph learning methods for HGs known as heterogeneous graph neural networks (HGNNs) are applied to learn deep context-informed node representations. However, many HG datasets from industrial applications suffer from label imbalance between node types. As there is no direct way to learn using labels rooted at different node types, HGNNs have been applied to only a few node types with abundant labels. We propose a zero-shot transfer learning module for HGNNs called a Knowledge Transfer Network (KTN) that transfers knowledge from label-abundant node types to zero-labeled node types through rich relational information given in the HG. KTN is derived from the theoretical relationship, which we introduce in this work, between distinct feature extractors for each node type given in an HGNN model. KTN improves performance of 6 different types of HGNN models by up to 960% for inference on zero-labeled node types and outperforms state-of-the-art transfer learning baselines by up to 73% across 18 different transfer learning tasks on HGs.

To regulate a social system comprised of self-interested agents, economic incentives are often required to induce a desirable outcome. This incentive design problem naturally possesses a bilevel structure, in which a designer modifies the rewards of the agents with incentives while anticipating the response of the agents, who play a non-cooperative game that converges to an equilibrium. The existing bilevel optimization algorithms raise a dilemma when applied to this problem: anticipating how incentives affect the agents at equilibrium requires solving the equilibrium problem repeatedly, which is computationally inefficient; bypassing the time-consuming step of equilibrium-finding can reduce the computational cost, but may lead the designer to a sub-optimal solution. To address such a dilemma, we propose a method that tackles the designer's and agents' problems simultaneously in a single loop. Specifically, at each iteration, both the designer and the agents only move one step. Nevertheless, we allow the designer to gradually learn the overall influence of the incentives on the agents, which guarantees optimality after convergence. The convergence rate of the proposed scheme is also established for a broad class of games.

This paper surveys the field of deep multiagent reinforcement learning. The combination of deep neural networks with reinforcement learning has gained increased traction in recent years and is slowly shifting the focus from single-agent to multiagent environments. Dealing with multiple agents is inherently more complex as (a) the future rewards depend on multiple players' joint actions and (b) the computational complexity increases. We present the most common multiagent problem representations and their main challenges, and identify five research areas that address one or more of these challenges: centralised training and decentralised execution, opponent modelling, communication, efficient coordination, and reward shaping. We find that many computational studies rely on unrealistic assumptions or are not generalisable to other settings; they struggle to overcome the curse of dimensionality or nonstationarity. Approaches from psychology and sociology capture promising relevant behaviours, such as communication and coordination, to help agents achieve better performance in multiagent settings. We suggest that, for multiagent reinforcement learning to be successful, future research should address these challenges with an interdisciplinary approach to open up new possibilities in multiagent reinforcement learning.

Both supervised and unsupervised machine learning algorithms have been used to learn partition-based index structures for approximate nearest neighbor (ANN) search. Existing supervised algorithms formulate the learning task as finding a partition in which the nearest neighbors of a training set point belong to the same partition element as the point itself, so that the nearest neighbor candidates can be retrieved by naive lookup or backtracking search. We formulate candidate set selection in ANN search directly as a multilabel classification problem where the labels correspond to the nearest neighbors of the query point, and interpret the partitions as partitioning classifiers for solving this task. Empirical results suggest that the natural classifier based on this interpretation leads to strictly improved performance when combined with any unsupervised or supervised partitioning strategy. We also prove a sufficient condition for consistency of a partitioning classifier for ANN search, and illustrate the result by verifying this condition for chronological $k$-d trees.

Traditional machine learning models focus on achieving good performance on the overall training distribution, but they often underperform on minority groups. Existing methods can improve the worst-group performance, but they can have several limitations: (i) they require group annotations, which are often expensive and sometimes infeasible to obtain, and/or (ii) they are sensitive to outliers. Most related works fail to solve these two issues simultaneously as they focus on conflicting perspectives of minority groups and outliers. We address the problem of learning group annotations in the presence of outliers by clustering the data in the space of gradients of the model parameters. We show that data in the gradient space has a simpler structure while preserving information about minority groups and outliers, making it suitable for standard clustering methods like DBSCAN. Extensive experiments demonstrate that our method significantly outperforms state-of-the-art both in terms of group identification and downstream worst-group performance.

We propose an unsupervised technique for implicit parameterization of data manifolds. In our approach, the data is assumed to belong to a lower dimensional manifold in a higher dimensional space, and the data points are viewed as the endpoints of the trajectories originating outside the manifold. Under this assumption, the data manifold is an attractive manifold of a dynamical system to be estimated. We parameterize such a dynamical system with a residual neural network and propose a spectral localization technique to ensure it is locally attractive in the vicinity of data. We also present initialization and additional regularization of the proposed residual layers. % that we call dissipative bottlenecks. We mention the importance of the considered problem for the tasks of reinforcement learning and support our discussion with examples demonstrating the performance of the proposed layers in denoising and generative tasks.

As the curation of data for machine learning becomes increasingly automated, dataset tampering is a mounting threat. Backdoor attackers tamper with training data to embed a vulnerability in models that are trained on that data. This vulnerability is then activated at inference time by placing a "trigger" into the model's input. Typical backdoor attacks insert the trigger directly into the training data, although the presence of such an attack may be visible upon inspection. In contrast, the Hidden Trigger Backdoor Attack achieves poisoning without placing a trigger into the training data at all. However, this hidden trigger attack is ineffective at poisoning neural networks trained from scratch. We develop a new hidden trigger attack, Sleeper Agent, which employs gradient matching, data selection, and target model re-training during the crafting process. Sleeper Agent is the first hidden trigger backdoor attack to be effective against neural networks trained from scratch. We demonstrate its effectiveness on ImageNet and in black-box settings. Our implementation code can be found at https://github.com/hsouri/Sleeper-Agent.

Certified defenses based on convex relaxations are an established technique for training provably robust models. The key component is the choice of relaxation, varying from simple intervals to tight polyhedra. Counterintuitively, loose interval-based training often leads to higher certified robustness than what can be achieved with tighter relaxations, which is a well-known but poorly understood paradox. While recent works introduced various improvements aiming to circumvent this issue in practice, the fundamental problem of training models with high certified robustness remains unsolved. In this work, we investigate the underlying reasons behind the paradox and identify two key properties of relaxations, beyond tightness, that impact certified training dynamics: continuity and sensitivity. Our extensive experimental evaluation with a number of popular convex relaxations provides strong evidence that these factors can explain the drop in certified robustness observed for tighter relaxations. We also systematically explore modifications of existing relaxations and discover that improving unfavorable properties is challenging, as such attempts often harm other properties, revealing a complex tradeoff. Our findings represent an important first step towards understanding the intricate optimization challenges involved in certified training.

We study algorithms using randomized value functions for exploration in reinforcement learning. This type of algorithms enjoys appealing empirical performance. We show that when we use 1) a single random seed in each episode, and 2) a Bernstein-type magnitude of noise, we obtain a worst-case $\widetilde{O}\left(H\sqrt{SAT}\right)$ regret bound for episodic time-inhomogeneous Markov Decision Process where $S$ is the size of state space, $A$ is the size of action space, $H$ is the planning horizon and $T$ is the number of interactions. This bound polynomially improves all existing bounds for algorithms based on randomized value functions, and for the first time, matches the $\Omega\left(H\sqrt{SAT}\right)$ lower bound up to logarithmic factors. Our result highlights that randomized exploration can be near-optimal, which was previously achieved only by optimistic algorithms. To achieve the desired result, we develop 1) a new clipping operation to ensure both the probability of being optimistic and the probability of being pessimistic are lower bounded by a constant, and 2) a new recursive formula for the absolute value of estimation errors to analyze the regret.

We consider a contextual bandit problem with a combinatorial action set and time-varying base arm availability. At the beginning of each round, the agent observes the set of available base arms and their contexts and then selects an action that is a feasible subset of the set of available base arms to maximize its cumulative reward in the long run. We assume that the mean outcomes of base arms are samples from a Gaussian Process (GP) indexed by the context set ${\cal X}$, and the expected reward is Lipschitz continuous in expected base arm outcomes. For this setup, we propose an algorithm called Optimistic Combinatorial Learning and Optimization with Kernel Upper Confidence Bounds (O'CLOK-UCB) and prove that it incurs $\tilde{O}(\sqrt{\lambda^*(K)KT\overline{\gamma}_{T}} )$ regret with high probability, where $\overline{\gamma}_{T}$ is the maximum information gain associated with the set of base arm contexts that appeared in the first $T$ rounds, $K$ is the maximum cardinality of any feasible action over all rounds and $\lambda^*(K)$ is the maximum eigenvalue of all covariance matrices of selected actions up to time $T$, which is a function of $K$. To dramatically speed up the algorithm, we also propose a variant of O'CLOK-UCB that uses sparse GPs. Finally, we experimentally show that both algorithms exploit inter-base arm outcome correlation and vastly outperform the previous state-of-the-art UCB-based algorithms in realistic setups.

Graph Convolutional Networks (GCNs) suffer from performance degradation when models go deeper. However, earlier works only attributed the performance degradation to over-smoothing. In this paper, we conduct theoretical and experimental analysis to explore the fundamental causes of performance degradation in deep GCNs: over-smoothing and gradient vanishing have a mutually reinforcing effect that causes the performance to deteriorate more quickly in deep GCNs. On the other hand, existing anti-over-smoothing methods all perform full convolutions up to the model depth. They could not well resist the exponential convergence of over-smoothing due to model depth increasing. In this work, we propose a simple yet effective plug-and-play module, SkipNode, to overcome the performance degradation of deep GCNs. It samples graph nodes in each convolutional layer to skip the convolution operation. In this way, both over-smoothing and gradient vanishing can be effectively suppressed since (1) not all nodes perform full convolutions up to the model depth and, (2) the gradient can be directly passed back through ``skipped'' nodes. We provide both theoretical analysis and empirical evaluation to demonstrate the efficacy of SkipNode and its superiority over SOTA baselines.

In this paper, we propose a new self-supervised method, which is called Denoising Masked AutoEncoders (DMAE), for learning certified robust classifiers of images. In DMAE, we corrupt each image by adding Gaussian noises to each pixel value and randomly masking several patches. A Transformer-based encoder-decoder model is then trained to reconstruct the original image from the corrupted one. In this learning paradigm, the encoder will learn to capture relevant semantics for the downstream tasks, which is also robust to Gaussian additive noises. We show that the pre-trained encoder can naturally be used as the base classifier in Gaussian smoothed models, where we can analytically compute the certified radius for any data point. Although the proposed method is simple, it yields significant performance improvement in downstream classification tasks. We show that the DMAE ViT-Base model, which just uses 1/10 parameters of the model developed in recent work arXiv:2206.10550, achieves competitive or better certified accuracy in various settings. The DMAE ViT-Large model significantly surpasses all previous results, establishing a new state-of-the-art on ImageNet dataset. We further demonstrate that the pre-trained model has good transferability to the CIFAR-10 dataset, suggesting its wide adaptability. Models and code are available at https://github.com/quanlin-wu/dmae.

Cooperative game is a critical research area in the multi-agent reinforcement learning (MARL). Global reward game is a subclass of cooperative games, where all agents aim to maximize the global reward. Credit assignment is an important problem studied in the global reward game. Most of previous works stood by the view of non-cooperative-game theoretical framework with the shared reward approach, i.e., each agent being assigned a shared global reward directly. This, however, may give each agent an inaccurate reward on its contribution to the group, which could cause inefficient learning. To deal with this problem, we i) introduce a cooperative-game theoretical framework called extended convex game (ECG) that is a superset of global reward game, and ii) propose a local reward approach called Shapley Q-value. Shapley Q-value is able to distribute the global reward, reflecting each agent's own contribution in contrast to the shared reward approach. Moreover, we derive an MARL algorithm called Shapley Q-value deep deterministic policy gradient (SQDDPG), using Shapley Q-value as the critic for each agent. We evaluate SQDDPG on Cooperative Navigation, Prey-and-Predator and Traffic Junction, compared with the state-of-the-art algorithms, e.g., MADDPG, COMA, Independent DDPG and Independent A2C. In the experiments, SQDDPG shows a significant improvement on the convergence rate. Finally, we plot Shapley Q-value and validate the property of fair credit assignment.

Beginning programmers struggle with the complex grammar of modern programming languages like Java, and make lot of syntax errors. The diagnostic syntax error messages from compilers and IDEs are sometimes useful, but often the messages are cryptic and puzzling. Students could be helped, and instructors' time saved, by automated repair suggestions when dealing with syntax errors. Large samples of student errors and fixes are now available, offering the possibility of data-driven machine-learning approaches to help students fix syntax errors. Current machine-learning approaches do a reasonable job fixing syntax errors in shorter programs, but don't work as well even for moderately longer programs. We introduce SYNFIX, a machine-learning based tool that substantially improves on the state-of-the-art, by learning to use compiler diagnostics, employing a very large neural model that leverages unsupervised pre-training, and relying on multi-label classification rather than autoregressive synthesis to generate the (repaired) output. We describe SYNFIX's architecture in detail, and provide a detailed evaluation. We have built SYNFIX into a free, open-source version of Visual Studio Code; we make all our source code and models freely available.

Minimizers and convolutional neural networks (CNNs) are two quite distinct popular techniques that have both been employed to analyze categorical biological sequences. At face value, the methods seem entirely dissimilar. Minimizers use min-wise hashing on a rolling window to extract a single important k-mer feature per window. CNNs start with a wide array of randomly initialized convolutional filters, paired with a pooling operation, and then multiple additional neural layers to learn both the filters themselves and how those filters can be used to classify the sequence. In this manuscript, we demonstrate through a careful mathematical analysis of hash function properties that for sequences over a categorical alphabet, random Gaussian initialization of convolutional filters with max-pooling is equivalent to choosing a minimizer ordering such that selected k-mers are (in Hamming distance) far from the k-mers within the sequence but close to other minimizers. In additional empirical experiments, we find that this property manifests as decreased density in repetitive regions. This provides a partial explanation for the effectiveness of CNNs in categorical sequence analysis.

Encoder-decoder architectures are prominent building blocks of state-of-the-art solutions for tasks across multiple fields where deep learning (DL) or foundation models play a key role. Although there is a growing community working on the provision of interpretation for DL models as well as considerable work in the neuro-symbolic community seeking to integrate symbolic representations and DL, many open questions remain around the need for better tools for visualization of the inner workings of DL architectures. In particular, encoder-decoder models offer an exciting opportunity for visualization and editing by humans of the knowledge implicitly represented in model weights. In this work, we explore ways to create an abstraction for segments of the network as a two-way graph-based representation. Changes to this graph structure should be reflected directly in the underlying tensor representations. Such two-way graph representation enables new neuro-symbolic systems by leveraging the pattern recognition capabilities of the encoder-decoder along with symbolic reasoning carried out on the graphs. The approach is expected to produce new ways of interacting with DL models but also to improve performance as a result of the combination of learning and reasoning capabilities.

The recent advent of powerful generative models has triggered the renewed development of quantitative measures to assess the proximity of two probability distributions. As the scalar Frechet inception distance remains popular, several methods have explored computing entire curves, which reveal the trade-off between the fidelity and variability of the first distribution with respect to the second one. Several of such variants have been proposed independently and while intuitively similar, their relationship has not yet been made explicit. In an effort to make the emerging picture of generative evaluation more clear, we propose a unification of four curves known respectively as: the precision-recall (PR) curve, the Lorenz curve, the receiver operating characteristic (ROC) curve and a special case of R\'enyi divergence frontiers. In addition, we discuss possible links between PR / Lorenz curves with the derivation of domain adaptation bounds.

The objective of this paper is audio-visual synchronisation of general videos 'in the wild'. For such videos, the events that may be harnessed for synchronisation cues may be spatially small and may occur only infrequently during a many seconds-long video clip, i.e. the synchronisation signal is 'sparse in space and time'. This contrasts with the case of synchronising videos of talking heads, where audio-visual correspondence is dense in both time and space. We make four contributions: (i) in order to handle longer temporal sequences required for sparse synchronisation signals, we design a multi-modal transformer model that employs 'selectors' to distil the long audio and visual streams into small sequences that are then used to predict the temporal offset between streams. (ii) We identify artefacts that can arise from the compression codecs used for audio and video and can be used by audio-visual models in training to artificially solve the synchronisation task. (iii) We curate a dataset with only sparse in time and space synchronisation signals; and (iv) the effectiveness of the proposed model is shown on both dense and sparse datasets quantitatively and qualitatively. Project page: v-iashin.github.io/SparseSync

Antibodies comprise the most versatile class of binding molecules, with numerous applications in biomedicine. Therapeutic antibody development requires designing novel and diverse sequences with improved properties, while maintaining the structural consistency. Recently, deep language models and graph neural networks have shown impressive success in antibody sequence generation. Since only a limited number of antibody structures are known, training a model using this limited data can lead to degraded performance, particularly lacking diversity in the generated samples. To address such issues, we leverage the method of Model Reprogramming (MR), which focuses on repurposing pretrained machine learning models for target domain tasks with scarce data, where it may be difficult to train a high-performing model from scratch. We introduce Reprogramming for Protein Sequence Infilling, a framework in which pretrained natural language models are repurposed for protein sequence infilling via reprogramming, to infill protein sequence templates as a method of novel protein generation. For variable CDR sequence design, we formulate the task as text infilling that uses the constant region of an antibody as the sequence template. Results on antibody design benchmarks show that our reprogrammed model on low resourced antibody sequence dataset provides highly diverse CDR sequences, up to more than a two-fold increase of diversity over the baselines, without losing structural integrity and naturalness. The performance benefit of the reprogrammed model learning only from antibody sequences is more evident for longer CDR design or for multiple loop infilling at once, compared to existing graph-based models that require additional structural information. The generated sequences also demonstrate enhanced antigen binding specificity or virus neutralization ability.

While deep neural networks are highly performant and successful in a wide range of real-world problems, estimating their predictive uncertainty remains a challenging task. To address this challenge, we propose and implement a loss function for regression uncertainty estimation based on the Bayesian Validation Metric (BVM) framework while using ensemble learning. The proposed loss reproduces maximum likelihood estimation in the limiting case. A series of experiments on in-distribution data show that the proposed method is competitive with existing state-of-the-art methods. Experiments on out-of-distribution data show that the proposed method is robust to statistical change and exhibits superior predictive capability.

One unique property of time series is that the temporal relations are largely preserved after downsampling into two sub-sequences. By taking advantage of this property, we propose a novel neural network architecture that conducts sample convolution and interaction for temporal modeling and forecasting, named SCINet. Specifically, SCINet is a recursive downsample-convolve-interact architecture. In each layer, we use multiple convolutional filters to extract distinct yet valuable temporal features from the downsampled sub-sequences or features. By combining these rich features aggregated from multiple resolutions, SCINet effectively models time series with complex temporal dynamics. Experimental results show that SCINet achieves significant forecasting accuracy improvements over both existing convolutional models and Transformer-based solutions across various real-world time series forecasting datasets. Our codes and data are available at https://github.com/cure-lab/SCINet.

Real-world data for classification is often labeled by multiple annotators. For analyzing such data, we introduce CROWDLAB, a straightforward approach to estimate: (1) A consensus label for each example that aggregates the individual annotations (more accurately than aggregation via majority-vote or other algorithms used in crowdsourcing); (2) A confidence score for how likely each consensus label is correct (via well-calibrated estimates that account for the number of annotations for each example and their agreement, prediction-confidence from a trained classifier, and trustworthiness of each annotator vs. the classifier); (3) A rating for each annotator quantifying the overall correctness of their labels. While many algorithms have been proposed to estimate related quantities in crowdsourcing, these often rely on sophisticated generative models with iterative inference schemes, whereas CROWDLAB is based on simple weighted ensembling. Many algorithms also rely solely on annotator statistics, ignoring the features of the examples from which the annotations derive. CROWDLAB in contrast utilizes any classifier model trained on these features, which can generalize between examples with similar features. In evaluations on real-world multi-annotator image data, our proposed method provides superior estimates for (1)-(3) than many alternative algorithms.

A bottleneck to developing Semantic Parsing (SP) models is the need for a large volume of human-labeled training data. Given the complexity and cost of human annotation for SP, labeled data is often scarce, particularly in multilingual settings. Large Language Models (LLMs) excel at SP given only a few examples, however LLMs are unsuitable for runtime systems which require low latency. In this work, we propose CLASP, a simple method to improve low-resource SP for moderate-sized models: we generate synthetic data from AlexaTM 20B to augment the training set for a model 40x smaller (500M parameters). We evaluate on two datasets in low-resource settings: English PIZZA, containing either 348 or 16 real examples, and mTOP cross-lingual zero-shot, where training data is available only in English, and the model must generalize to four new languages. On both datasets, we show significant improvements over strong baseline methods.

In this work, we point out the problem of observed adversaries for deep policies. Specifically, recent work has shown that deep reinforcement learning is susceptible to adversarial attacks where an observed adversary acts under environmental constraints to invoke natural but adversarial observations. This setting is particularly relevant for HRI since HRI-related robots are expected to perform their tasks around and with other agents. In this work, we demonstrate that this effect persists even with low-dimensional observations. We further show that these adversarial attacks transfer across victims, which potentially allows malicious attackers to train an adversary without access to the target victim.

The presence and density of specific types of immune cells are important to understand a patient's immune response to cancer. However, immunofluorescence staining required to identify T cell subtypes is expensive, timeconsuming, and rarely performed in clinical settings. We present a framework to virtually stain Hoechst images (which are cheap and widespread) with both CD3 and CD8 to identify T cell subtypes in clear cell renal cell carcinoma using generative adversarial networks. Our proposed method jointly learns both staining tasks, incentivising the network to incorporate mutually beneficial information from each task. We devise a novel metric to quantify the virtual staining quality, and use it to evaluate our method.

The implicit biases of gradient-based optimization algorithms are conjectured to be a major factor in the success of modern deep learning. In this work, we investigate the implicit bias of gradient flow and gradient descent in two-layer fully-connected neural networks with leaky ReLU activations when the training data are nearly-orthogonal, a common property of high-dimensional data. For gradient flow, we leverage recent work on the implicit bias for homogeneous neural networks to show that asymptotically, gradient flow produces a neural network with rank at most two. Moreover, this network is an $\ell_2$-max-margin solution (in parameter space), and has a linear decision boundary that corresponds to an approximate-max-margin linear predictor. For gradient descent, provided the random initialization variance is small enough, we show that a single step of gradient descent suffices to drastically reduce the rank of the network, and that the rank remains small throughout training. We provide experiments which suggest that a small initialization scale is important for finding low-rank neural networks with gradient descent.

Research in human-centered AI has shown the benefits of systems that can explain their predictions. Methods that allow an AI to take advice from humans in response to explanations are similarly useful. While both capabilities are well-developed for transparent learning models (e.g., linear models and GA$^2$Ms), and recent techniques (e.g., LIME and SHAP) can generate explanations for opaque models, little attention has been given to advice methods for opaque models. This paper introduces LIMEADE, the first general framework that translates both positive and negative advice (expressed using high-level vocabulary such as that employed by post-hoc explanations) into an update to an arbitrary, underlying opaque model. We demonstrate the generality of our approach with case studies on seventy real-world models across two broad domains: image classification and text recommendation. We show our method improves accuracy compared to a rigorous baseline on the image classification domains. For the text modality, we apply our framework to a neural recommender system for scientific papers on a public website; our user study shows that our framework leads to significantly higher perceived user control, trust, and satisfaction.

Convolutional neural networks (CNNs) achieved the state-of-the-art performance in medical image segmentation due to their ability to extract highly complex feature representations. However, it is argued in recent studies that traditional CNNs lack the intelligence to capture long-term dependencies of different image regions. Following the success of applying Transformer models on natural language processing tasks, the medical image segmentation field has also witnessed growing interest in utilizing Transformers, due to their ability to capture long-range contextual information. However, unlike CNNs, Transformers lack the ability to learn local feature representations. Thus, to fully utilize the advantages of both CNNs and Transformers, we propose a hybrid encoder-decoder segmentation model (ConvTransSeg). It consists of a multi-layer CNN as the encoder for feature learning and the corresponding multi-level Transformer as the decoder for segmentation prediction. The encoder and decoder are interconnected in a multi-resolution manner. We compared our method with many other state-of-the-art hybrid CNN and Transformer segmentation models on binary and multiple class image segmentation tasks using several public medical image datasets, including skin lesion, polyp, cell and brain tissue. The experimental results show that our method achieves overall the best performance in terms of Dice coefficient and average symmetric surface distance measures with low model complexity and memory consumption. In contrast to most Transformer-based methods that we compared, our method does not require the use of pre-trained models to achieve similar or better performance. The code is freely available for research purposes on Github: (the link will be added upon acceptance).

Current implementations of Gradient Boosting Machines are mostly designed for single-target regression tasks and commonly assume independence between responses when used in multivariate settings. As such, these models are not well suited if non-negligible dependencies exist between targets. To overcome this limitation, we present an extension of XGBoostLSS that models multiple targets and their dependencies in a probabilistic regression setting. Empirical results show that our approach outperforms existing GBMs with respect to runtime and compares well in terms of accuracy.

Reliable contact simulation plays a key role in the development of (semi-)autonomous robots, especially when dealing with contact-rich manipulation scenarios, an active robotics research topic. Besides simulation, components such as sensing, perception, data collection, robot hardware control, human interfaces, etc. are all key enablers towards applying machine learning algorithms or model-based approaches in real world systems. However, there is a lack of software connecting reliable contact simulation with the larger robotics ecosystem (i.e. ROS, Orocos), for a more seamless application of novel approaches, found in the literature, to existing robotic hardware. In this paper, we present the ROS-PyBullet Interface, a framework that provides a bridge between the reliable contact/impact simulator PyBullet and the Robot Operating System (ROS). Furthermore, we provide additional utilities for facilitating Human-Robot Interaction (HRI) in the simulated environment. We also present several use-cases that highlight the capabilities and usefulness of our framework. Please check our video, source code, and examples included in the supplementary material. Our full code base is open source and can be found at https://github.com/cmower/ros_pybullet_interface.

Bayesian optimization (BO), which uses a Gaussian process (GP) as a surrogate to model its objective function, is popular for black-box optimization. However, due to the limitations of GPs, BO underperforms in some problems such as those with categorical, high-dimensional or image inputs. To this end, recent works have used the highly expressive neural networks (NNs) as the surrogate model and derived theoretical guarantees using the theory of neural tangent kernel (NTK). However, these works suffer from the limitations of the requirement to invert an extremely large parameter matrix and the restriction to the sequential (rather than batch) setting. To overcome these limitations, we introduce two algorithms based on the Thompson sampling (TS) policy named Sample-Then-Optimize Batch Neural TS (STO-BNTS) and STO-BNTS-Linear. To choose an input query, we only need to train an NN (resp. a linear model) and then choose the query by maximizing the trained NN (resp. linear model), which is equivalently sampled from the GP posterior with the NTK as the kernel function. As a result, our algorithms sidestep the need to invert the large parameter matrix yet still preserve the validity of the TS policy. Next, we derive regret upper bounds for our algorithms with batch evaluations, and use insights from batch BO and NTK to show that they are asymptotically no-regret under certain conditions. Finally, we verify their empirical effectiveness using practical AutoML and reinforcement learning experiments.

Multi-Agent Reinforcement Learning currently focuses on implementations where all data and training can be centralized to one machine. But what if local agents are split across multiple tasks, and need to keep data private between each? We develop the first application of Personalized Federated Hypernetworks (PFH) to Reinforcement Learning (RL). We then present a novel application of PFH to few-shot transfer, and demonstrate significant initial increases in learning. PFH has never been demonstrated beyond supervised learning benchmarks, so we apply PFH to an important domain: RL price-setting for energy demand response. We consider a general case across where agents are split across multiple microgrids, wherein energy consumption data must be kept private within each microgrid. Together, our work explores how the fields of personalized federated learning and RL can come together to make learning efficient across multiple tasks while keeping data secure.

Diffusion models emerge to establish the new state of the art in the visual generation. In particular, text-to-image diffusion models that generate images based on caption descriptions have attracted increasing attention, impressed by their user controllability. Despite encouraging performance, they exaggerate concerns of fake image misuse and cast new pressures on fake image detection. In this work, we pioneer a systematic study of the authenticity of fake images generated by text-to-image diffusion models. In particular, we conduct comprehensive studies from two perspectives unique to the text-to-image model, namely, visual modality and linguistic modality. For visual modality, we propose universal detection that demonstrates fake images of these text-to-image diffusion models share common cues, which enable us to distinguish them apart from real images. We then propose source attribution that reveals the uniqueness of the fingerprints held by each diffusion model, which can be used to attribute each fake image to its model source. A variety of ablation and analysis studies further interpret the improvements from each of our proposed methods. For linguistic modality, we delve deeper to comprehensively analyze the impacts of text captions (called prompt analysis) on the image authenticity of text-to-image diffusion models, and reason the impacts to the detection and attribution performance of fake images. All findings contribute to the community's insight into the natural properties of text-to-image diffusion models, and we appeal to our community's consideration on the counterpart solutions, like ours, against the rapidly-evolving fake image generators.

Specular microscopy assessment of the human corneal endothelium (CE) in Fuchs' dystrophy is challenging due to the presence of dark image regions called guttae. This paper proposes a UNet-based segmentation approach that requires minimal post-processing and achieves reliable CE morphometric assessment and guttae identification across all degrees of Fuchs' dystrophy. We cast the segmentation problem as a regression task of the cell and gutta signed distance maps instead of a pixel-level classification task as typically done with UNets. Compared to the conventional UNet classification approach, the distance-map regression approach converges faster in clinically relevant parameters. It also produces morphometric parameters that agree with the manually-segmented ground-truth data, namely the average cell density difference of -41.9 cells/mm2 (95% confidence interval (CI) [-306.2, 222.5]) and the average difference of mean cell area of 14.8 um2 (95% CI [-41.9, 71.5]). These results suggest a promising alternative for CE assessment.

The normalizing layer has become one of the basic configurations of deep learning models, but it still suffers from computational inefficiency, interpretability difficulties, and low generality. After gaining a deeper understanding of the recent normalization and normalizer-free research works from a sample's perspective, we reveal the fact that the problem lies in the sampling noise and the inappropriate prior assumption. In this paper, we propose a simple and effective alternative to normalization, which is called "NoMorelization". NoMorelization is composed of two trainable scalars and a zero-centered noise injector. Experimental results demonstrate that NoMorelization is a general component for deep learning and is suitable for different model paradigms (e.g., convolution-based and attention-based models) to tackle different tasks (e.g., discriminative and generative tasks). Compared with existing mainstream normalizers (e.g., BN, LN, and IN) and state-of-the-art normalizer-free methods, NoMorelization shows the best speed-accuracy trade-off.

CORL is an open-source library that provides single-file implementations of Deep Offline Reinforcement Learning algorithms. It emphasizes a simple developing experience with a straightforward codebase and a modern analysis tracking tool. In CORL, we isolate methods implementation into distinct single files, making performance-relevant details easier to recognise. Additionally, an experiment tracking feature is available to help log metrics, hyperparameters, dependencies, and more to the cloud. Finally, we have ensured the reliability of the implementations by benchmarking a commonly employed D4RL benchmark. The source code can be found https://github.com/tinkoff-ai/CORL

Imbalanced Data (ID) is a problem that deters Machine Learning (ML) models for achieving satisfactory results. ID is the occurrence of a situation where the quantity of the samples belonging to one class outnumbers that of the other by a wide margin, making such models learning process biased towards the majority class. In recent years, to address this issue, several solutions have been put forward, which opt for either synthetically generating new data for the minority class or reducing the number of majority classes for balancing the data. Hence, in this paper, we investigate the effectiveness of methods based on Deep Neural Networks (DNNs) and Convolutional Neural Networks (CNNs), mixed with a variety of well-known imbalanced data solutions meaning oversampling and undersampling. To evaluate our methods, we have used KEEL, breast cancer, and Z-Alizadeh Sani datasets. In order to achieve reliable results, we conducted our experiments 100 times with randomly shuffled data distributions. The classification results demonstrate that the mixed Synthetic Minority Oversampling Technique (SMOTE)-Normalization-CNN outperforms different methodologies achieving 99.08% accuracy on the 24 imbalanced datasets. Therefore, the proposed mixed model can be applied to imbalanced binary classification problems on other real datasets.

Few-shot knowledge graph (KG) completion task aims to perform inductive reasoning over the KG: given only a few support triplets of a new relation $\bowtie$ (e.g., (chop,$\bowtie$,kitchen), (read,$\bowtie$,library), the goal is to predict the query triplets of the same unseen relation $\bowtie$, e.g., (sleep,$\bowtie$,?). Current approaches cast the problem in a meta-learning framework, where the model needs to be first jointly trained over many training few-shot tasks, each being defined by its own relation, so that learning/prediction on the target few-shot task can be effective. However, in real-world KGs, curating many training tasks is a challenging ad hoc process. Here we propose Connection Subgraph Reasoner (CSR), which can make predictions for the target few-shot task directly without the need for pre-training on the human curated set of training tasks. The key to CSR is that we explicitly model a shared connection subgraph between support and query triplets, as inspired by the principle of eliminative induction. To adapt to specific KG, we design a corresponding self-supervised pretraining scheme with the objective of reconstructing automatically sampled connection subgraphs. Our pretrained model can then be directly applied to target few-shot tasks on without the need for training few-shot tasks. Extensive experiments on real KGs, including NELL, FB15K-237, and ConceptNet, demonstrate the effectiveness of our framework: we show that even a learning-free implementation of CSR can already perform competitively to existing methods on target few-shot tasks; with pretraining, CSR can achieve significant gains of up to 52% on the more challenging inductive few-shot tasks where the entities are also unseen during (pre)training.

Recent research has shown that language models have a tendency to memorize rare or unique sequences in the training corpora which can thus leak sensitive attributes of user data. We employ a teacher-student framework and propose a novel approach called alternating teaching to mitigate unintended memorization in sequential modeling. In our method, multiple teachers are trained on disjoint training sets whose privacy one wishes to protect, and teachers' predictions supervise the training of a student model in an alternating manner at each time step. Experiments on LibriSpeech datasets show that the proposed method achieves superior privacy-preserving results than other counterparts. In comparison with no prevention for unintended memorization, the overall utility loss is small when training records are sufficient.

The application of deep neural networks to remote sensing imagery is often constrained by the lack of ground-truth annotations. Adressing this issue requires models that generalize efficiently from limited amounts of labeled data, allowing us to tackle a wider range of Earth observation tasks. Another challenge in this domain is developing algorithms that operate at variable spatial resolutions, e.g., for the problem of classifying land use at different scales. Recently, self-supervised learning has been applied in the remote sensing domain to exploit readily-available unlabeled data, and was shown to reduce or even close the gap with supervised learning. In this paper, we study self-supervised visual representation learning through the lens of label efficiency, for the task of land use classification on multi-resolution/multi-scale satellite images. We benchmark two contrastive self-supervised methods adapted from Momentum Contrast (MoCo) and provide evidence that these methods can be perform effectively given little downstream supervision, where randomly initialized networks fail to generalize. Moreover, they outperform out-of-domain pretraining alternatives. We use the large-scale fMoW dataset to pretrain and evaluate the networks, and validate our observations with transfer to the RESISC45 dataset.

We present SELOR, a framework for integrating self-explaining capabilities into a given deep model to achieve both high prediction performance and human precision. By "human precision", we refer to the degree to which humans agree with the reasons models provide for their predictions. Human precision affects user trust and allows users to collaborate closely with the model. We demonstrate that logic rule explanations naturally satisfy human precision with the expressive power required for good predictive performance. We then illustrate how to enable a deep model to predict and explain with logic rules. Our method does not require predefined logic rule sets or human annotations and can be learned efficiently and easily with widely-used deep learning modules in a differentiable way. Extensive experiments show that our method gives explanations closer to human decision logic than other methods while maintaining the performance of deep learning models.

Hierarchical reinforcement learning (HRL) effectively improves agents' exploration efficiency on tasks with sparse reward, with the guide of high-quality hierarchical structures (e.g., subgoals or options). However, how to automatically discover high-quality hierarchical structures is still a great challenge. Previous HRL methods can hardly discover the hierarchical structures in complex environments due to the low exploration efficiency by exploiting the randomness-driven exploration paradigm. To address this issue, we propose CDHRL, a causality-driven hierarchical reinforcement learning framework, leveraging a causality-driven discovery instead of a randomness-driven exploration to effectively build high-quality hierarchical structures in complicated environments. The key insight is that the causalities among environment variables are naturally fit for modeling reachable subgoals and their dependencies and can perfectly guide to build high-quality hierarchical structures. The results in two complex environments, 2D-Minecraft and Eden, show that CDHRL significantly boosts exploration efficiency with the causality-driven paradigm.

We provide an efficient unified plug-in approach for estimating symmetric properties of distributions given $n$ independent samples. Our estimator is based on profile-maximum-likelihood (PML) and is sample optimal for estimating various symmetric properties when the estimation error $\epsilon \gg n^{-1/3}$. This result improves upon the previous best accuracy threshold of $\epsilon \gg n^{-1/4}$ achievable by polynomial time computable PML-based universal estimators [ACSS21, ACSS20]. Our estimator reaches a theoretical limit for universal symmetric property estimation as [Han21] shows that a broad class of universal estimators (containing many well known approaches including ours) cannot be sample optimal for every $1$-Lipschitz property when $\epsilon \ll n^{-1/3}$.

Automated algorithm configuration relieves users from tedious, trial-and-error tuning tasks. A popular algorithm configuration tuning paradigm is dynamic algorithm configuration (DAC), in which an agent learns dynamic configuration policies across instances by reinforcement learning (RL). However, in many complex algorithms, there may exist different types of configuration hyperparameters, and such heterogeneity may bring difficulties for classic DAC which uses a single-agent RL policy. In this paper, we aim to address this issue and propose multi-agent DAC (MA-DAC), with one agent working for one type of configuration hyperparameter. MA-DAC formulates the dynamic configuration of a complex algorithm with multiple types of hyperparameters as a contextual multi-agent Markov decision process and solves it by a cooperative multi-agent RL (MARL) algorithm. To instantiate, we apply MA-DAC to a well-known optimization algorithm for multi-objective optimization problems. Experimental results show the effectiveness of MA-DAC in not only achieving superior performance compared with other configuration tuning approaches based on heuristic rules, multi-armed bandits, and single-agent RL, but also being capable of generalizing to different problem classes. Furthermore, we release the environments in this paper as a benchmark for testing MARL algorithms, with the hope of facilitating the application of MARL.

We consider the problem of inferring high-dimensional data $\mathbf{x}$ in a model that consists of a prior $p(\mathbf{x})$ and an auxiliary differentiable constraint $c(\mathbf{x},\mathbf{y})$ on $x$ given some additional information $\mathbf{y}$. In this paper, the prior is an independently trained denoising diffusion generative model. The auxiliary constraint is expected to have a differentiable form, but can come from diverse sources. The possibility of such inference turns diffusion models into plug-and-play modules, thereby allowing a range of potential applications in adapting models to new domains and tasks, such as conditional generation or image segmentation. The structure of diffusion models allows us to perform approximate inference by iterating differentiation through the fixed denoising network enriched with different amounts of noise at each step. Considering many noised versions of $\mathbf{x}$ in evaluation of its fitness is a novel search mechanism that may lead to new algorithms for solving combinatorial optimization problems.

Sparse decision trees are one of the most common forms of interpretable models. While recent advances have produced algorithms that fully optimize sparse decision trees for prediction, that work does not address policy design, because the algorithms cannot handle weighted data samples. Specifically, they rely on the discreteness of the loss function, which means that real-valued weights cannot be directly used. For example, none of the existing techniques produce policies that incorporate inverse propensity weighting on individual data points. We present three algorithms for efficient sparse weighted decision tree optimization. The first approach directly optimizes the weighted loss function; however, it tends to be computationally inefficient for large datasets. Our second approach, which scales more efficiently, transforms weights to integer values and uses data duplication to transform the weighted decision tree optimization problem into an unweighted (but larger) counterpart. Our third algorithm, which scales to much larger datasets, uses a randomized procedure that samples each data point with a probability proportional to its weight. We present theoretical bounds on the error of the two fast methods and show experimentally that these methods can be two orders of magnitude faster than the direct optimization of the weighted loss, without losing significant accuracy.

We derive a simple unified framework giving closed-form estimates for the test risk and other generalization metrics of kernel ridge regression (KRR). Relative to prior work, our derivations are greatly simplified and our final expressions are more readily interpreted. These improvements are enabled by our identification of a sharp conservation law which limits the ability of KRR to learn any orthonormal basis of functions. Test risk and other objects of interest are expressed transparently in terms of our conserved quantity evaluated in the kernel eigenbasis. We use our improved framework to: i) provide a theoretical explanation for the "deep bootstrap" of Nakkiran et al (2020), ii) generalize a previous result regarding the hardness of the classic parity problem, iii) fashion a theoretical tool for the study of adversarial robustness, and iv) draw a tight analogy between KRR and a well-studied system in statistical physics.

This paper presents a subsampling-task paradigm for data-driven task-specific experiment design (ED) and a novel method in populationwide supervised feature selection (FS). Optimal ED, the choice of sampling points under constraints of limited acquisition-time, arises in a wide variety of scientific and engineering contexts. However the continuous optimization used in classical approaches depend on a-priori parameter choices and challenging non-convex optimization landscapes. This paper proposes to replace this strategy with a subsampling-task paradigm, analogous to populationwide supervised FS. In particular, we introduce JOFSTO, which performs JOint Feature Selection and Task Optimization. JOFSTO jointly optimizes two coupled networks: one for feature scoring, which provides the ED, the other for execution of a downstream task or process. Unlike most FS problems, e.g. selecting protein expressions for classification, ED problems typically select from highly correlated globally informative candidates rather than seeking a small number of highly informative features among many uninformative features. JOFSTO's construction efficiently identifies potentially correlated, but effective subsets and returns a trained task network. We demonstrate the approach using parameter estimation and mapping problems in quantitative MRI, where economical ED is crucial for clinical application. Results from simulations and empirical data show the subsampling-task paradigm strongly outperforms classical ED, and within our paradigm, JOFSTO outperforms state-of-the-art supervised FS techniques. JOFSTO extends immediately to wider image-based ED problems and other scenarios where the design must be specified globally across large numbers of acquisitions. Code will be released.

Recently, Sharpness-Aware Minimization (SAM) algorithm has shown state-of-the-art generalization abilities in vision tasks. It demonstrates that flat minima tend to imply better generalization abilities. However, it has some difficulty implying SAM to some natural language tasks, especially to models with drastic gradient changes, such as RNNs. In this work, we analyze the relation between the flatness of the local minimum and its generalization ability from a novel and straightforward theoretical perspective. We propose that the shift of the training and test distributions can be equivalently seen as a virtual parameter corruption or perturbation, which can explain why flat minima that are robust against parameter corruptions or perturbations have better generalization performances. On its basis, we propose a Gradient-Strength based Adaptive Sharpness-Aware Minimization (GA-SAM) algorithm to help to learn algorithms find flat minima that generalize better. Results in various language benchmarks validate the effectiveness of the proposed GA-SAM algorithm on natural language tasks.

Succinct representation of complex signals using coordinate-based neural representations (CNRs) has seen great progress, and several recent efforts focus on extending them for handling videos. Here, the main challenge is how to (a) alleviate a compute-inefficiency in training CNRs to (b) achieve high-quality video encoding while (c) maintaining the parameter-efficiency. To meet all requirements (a), (b), and (c) simultaneously, we propose neural video representations with learnable positional features (NVP), a novel CNR by introducing "learnable positional features" that effectively amortize a video as latent codes. Specifically, we first present a CNR architecture based on designing 2D latent keyframes to learn the common video contents across each spatio-temporal axis, which dramatically improves all of those three requirements. Then, we propose to utilize existing powerful image and video codecs as a compute-/memory-efficient compression procedure of latent codes. We demonstrate the superiority of NVP on the popular UVG benchmark; compared with prior arts, NVP not only trains 2 times faster (less than 5 minutes) but also exceeds their encoding quality as 34.07$\rightarrow$34.57 (measured with the PSNR metric), even using $>$8 times fewer parameters. We also show intriguing properties of NVP, e.g., video inpainting, video frame interpolation, etc.

Established approaches to obtain generalization bounds in data-driven optimization and machine learning mostly build on solutions from empirical risk minimization (ERM), which depend crucially on the functional complexity of the hypothesis class. In this paper, we present an alternate route to obtain these bounds on the solution from distributionally robust optimization (DRO), a recent data-driven optimization framework based on worst-case analysis and the notion of ambiguity set to capture statistical uncertainty. In contrast to the hypothesis class complexity in ERM, our DRO bounds depend on the ambiguity set geometry and its compatibility with the true loss function. Notably, when using statistical distances such as maximum mean discrepancy, Wasserstein distance, or $\phi$-divergence in the DRO, our analysis implies generalization bounds whose dependence on the hypothesis class appears the minimal possible: The bound depends solely on the true loss function, independent of any other candidates in the hypothesis class. To our best knowledge, it is the first generalization bound of this type in the literature, and we hope our findings can open the door for a better understanding of DRO, especially its benefits on loss minimization and other machine learning applications.

In open-retrieval conversational machine reading (OR-CMR) task, machines are required to do multi-turn question answering given dialogue history and a textual knowledge base. Existing works generally utilize two independent modules to approach this problem's two successive sub-tasks: first with a hard-label decision making and second with a question generation aided by various entailment reasoning methods. Such usual cascaded modeling is vulnerable to error propagation and prevents the two sub-tasks from being consistently optimized. In this work, we instead model OR-CMR as a unified text-to-text task in a fully end-to-end style. Experiments on the OR-ShARC dataset show the effectiveness of our proposed end-to-end framework on both sub-tasks by a large margin, achieving new state-of-the-art results. Further ablation studies support that our framework can generalize to different backbone models.

Humans tend to drive vehicles efficiently by relying on contextual and spatial information through the sensory organs. Inspired by this, most of the research is focused on how to learn robust and efficient driving policies. These works are mostly categorized as making modular or end-to-end systems for learning driving policies. However, the former approach has limitations due to the manual supervision of specific modules that hinder the scalability of these systems. In this work, we focus on the latter approach to formalize a framework for learning driving policies for end-to-end autonomous driving. In order to take inspiration from human driving, we have proposed a framework that incorporates three RGB cameras (left, right, and center) to mimic the human field of view and top-down semantic information for contextual representation in predicting the driving policies for autonomous driving. The sensor information is fused and encoded by the self-attention mechanism and followed by the auto-regressive waypoint prediction module. The proposed method's efficacy is experimentally evaluated using the CARLA simulator and outperforms the state-of-the-art methods by achieving the highest driving score at the evaluation time.

Quantum kernel methods are a candidate for quantum speed-ups in supervised machine learning. The number of quantum measurements $N$ required for a reasonable kernel estimate is a critical resource, both from complexity considerations and because of the constraints of near-term quantum hardware. We emphasize that for classification tasks, the aim is accurate classification and not accurate kernel evaluation, and demonstrate that the former is more resource efficient. In general, the uncertainty in the quantum kernel, arising from finite sampling, leads to misclassifications over some kernel instantiations. We introduce a suitable performance metric that characterizes the robustness or reliability of classification over a dataset, and obtain a bound for $N$ which ensures, with high probability, that classification errors over a dataset are bounded by the margin errors of an idealized quantum kernel classifier. Using techniques of robust optimization, we then show that the number of quantum measurements can be significantly reduced by a robust formulation of the original support vector machine. We consider the SWAP test and the GATES test quantum circuits for kernel evaluations, and show that the SWAP test is always less reliable than the GATES test for any $N$. Our strategy is applicable to uncertainty in quantum kernels arising from {\em any} source of noise, although we only consider the statistical sampling noise in our analysis.

Distillation with unlabeled examples is a popular and powerful method for training deep neural networks in settings where the amount of labeled data is limited: A large ''teacher'' neural network is trained on the labeled data available, and then it is used to generate labels on an unlabeled dataset (typically much larger in size). These labels are then utilized to train the smaller ''student'' model which will actually be deployed. Naturally, the success of the approach depends on the quality of the teacher's labels, since the student could be confused if trained on inaccurate data. This paper proposes a principled approach for addressing this issue based on a ''debiasing'' reweighting of the student's loss function tailored to the distillation training paradigm. Our method is hyper-parameter free, data-agnostic, and simple to implement. We demonstrate significant improvements on popular academic datasets and we accompany our results with a theoretical analysis which rigorously justifies the performance of our method in certain settings.

We introduce a new framework that performs decision-making in reinforcement learning (RL) as an iterative reasoning process. We model agent behavior as the steady-state distribution of a parameterized reasoning Markov chain (RMC), optimized with a new tractable estimate of the policy gradient. We perform action selection by simulating the RMC for enough reasoning steps to approach its steady-state distribution. We show our framework has several useful properties that are inherently missing from traditional RL. For instance, it allows agent behavior to approximate any continuous distribution over actions by parameterizing the RMC with a simple Gaussian transition function. Moreover, the number of reasoning steps to reach convergence can scale adaptively with the difficulty of each action selection decision and can be accelerated by re-using past solutions. Our resulting algorithm achieves state-of-the-art performance in popular Mujoco and DeepMind Control benchmarks, both for proprioceptive and pixel-based tasks.

Denoising diffusion models (DDMs) have shown promising results in 3D point cloud synthesis. To advance 3D DDMs and make them useful for digital artists, we require (i) high generation quality, (ii) flexibility for manipulation and applications such as conditional synthesis and shape interpolation, and (iii) the ability to output smooth surfaces or meshes. To this end, we introduce the hierarchical Latent Point Diffusion Model (LION) for 3D shape generation. LION is set up as a variational autoencoder (VAE) with a hierarchical latent space that combines a global shape latent representation with a point-structured latent space. For generation, we train two hierarchical DDMs in these latent spaces. The hierarchical VAE approach boosts performance compared to DDMs that operate on point clouds directly, while the point-structured latents are still ideally suited for DDM-based modeling. Experimentally, LION achieves state-of-the-art generation performance on multiple ShapeNet benchmarks. Furthermore, our VAE framework allows us to easily use LION for different relevant tasks: LION excels at multimodal shape denoising and voxel-conditioned synthesis, and it can be adapted for text- and image-driven 3D generation. We also demonstrate shape autoencoding and latent shape interpolation, and we augment LION with modern surface reconstruction techniques to generate smooth 3D meshes. We hope that LION provides a powerful tool for artists working with 3D shapes due to its high-quality generation, flexibility, and surface reconstruction. Project page and code: https://nv-tlabs.github.io/LION.

There is an emerging need for predictive models to be trained on-the-fly, since in numerous machine learning applications data are arriving in an online fashion. A critical challenge encountered is that of limited availability of ground truth information (e.g., labels in classification tasks) as new data are observed one-by-one online, while another significant challenge is that of class imbalance. This work introduces the novel Augmented Queues method, which addresses the dual-problem by combining in a synergistic manner online active learning, data augmentation, and a multi-queue memory to maintain separate and balanced queues for each class. We perform an extensive experimental study using image and time-series augmentations, in which we examine the roles of the active learning budget, memory size, imbalance level, and neural network type. We demonstrate two major advantages of Augmented Queues. First, it does not reserve additional memory space as the generation of synthetic data occurs only at training times. Second, learning models have access to more labelled data without the need to increase the active learning budget and / or the original memory size. Learning on-the-fly poses major challenges which, typically, hinder the deployment of learning models. Augmented Queues significantly improves the performance in terms of learning quality and speed. Our code is made publicly available.

Deep models often fail to generalize well in test domains when the data distribution differs from that in the training domain. Among numerous approaches to address this Out-of-Distribution (OOD) generalization problem, there has been a growing surge of interest in exploiting Adversarial Training (AT) to improve OOD performance. Recent works have revealed that the robust model obtained by conducting sample-wise AT also retains transferability to biased test domains. In this paper, we empirically show that sample-wise AT has limited improvement on OOD performance. Specifically, we find that AT can only maintain performance at smaller scales of perturbation while Universal AT (UAT) is more robust to larger-scale perturbations. This provides us with clues that adversarial perturbations with universal (low dimensional) structures can enhance the robustness against large data distribution shifts that are common in OOD scenarios. Inspired by this, we propose two AT variants with low-rank structures to train OOD-robust models. Extensive experiments on DomainBed benchmark show that our proposed approaches outperform Empirical Risk Minimization (ERM) and sample-wise AT. Our code is available at https://github.com/NOVAglow646/NIPS22-MAT-and-LDAT-for-OOD.

Model-based offline reinforcement learning (RL) aims to find highly rewarding policy, by leveraging a previously collected static dataset and a dynamics model. While learned through reuse of static dataset, the dynamics model's generalization ability hopefully promotes policy learning if properly utilized. To that end, several works propose to quantify the uncertainty of predicted dynamics, and explicitly apply it to penalize reward. However, as the dynamics and the reward are intrinsically different factors in context of MDP, characterizing the impact of dynamics uncertainty through reward penalty may incur unexpected tradeoff between model utilization and risk avoidance. In this work, we instead maintain a belief distribution over dynamics, and evaluate/optimize policy through biased sampling from the belief. The sampling procedure, biased towards pessimism, is derived based on an alternating Markov game formulation of offline RL. We formally show that the biased sampling naturally induces an updated dynamics belief with policy-dependent reweighting factor, termed Pessimism-Modulated Dynamics Belief. To improve policy, we devise an iterative regularized policy optimization algorithm for the game, with guarantee of monotonous improvement under certain condition. To make practical, we further devise an offline RL algorithm to approximately find the solution. Empirical results show that the proposed approach achieves state-of-the-art performance on a wide range of benchmark tasks.

Out-of-Distribution (OOD) detection is essential in real-world applications, which has attracted increasing attention in recent years. However, most existing OOD detection methods require many labeled In-Distribution (ID) data, causing a heavy labeling cost. In this paper, we focus on the more realistic scenario, where limited labeled data and abundant unlabeled data are available, and these unlabeled data are mixed with ID and OOD samples. We propose the Adaptive In-Out-aware Learning (AIOL) method, in which we employ the appropriate temperature to adaptively select potential ID and OOD samples from the mixed unlabeled data and consider the entropy over them for OOD detection. Moreover, since the test data in realistic applications may contain OOD samples whose classes are not in the mixed unlabeled data (we call them unseen OOD classes), data augmentation techniques are brought into the method to further improve the performance. The experiments are conducted on various benchmark datasets, which demonstrate the superiority of our method.

Saddle points constitute a crucial challenge for first-order gradient descent algorithms. In notions of classical machine learning, they are avoided for example by means of stochastic gradient descent methods. In this work, we provide evidence that the saddle points problem can be naturally avoided in variational quantum algorithms by exploiting the presence of stochasticity. We prove convergence guarantees of the approach and its practical functioning at hand of examples. We argue that the natural stochasticity of variational algorithms can be beneficial for avoiding strict saddle points, i.e., those saddle points with at least one negative Hessian eigenvalue. This insight that some noise levels could help in this perspective is expected to add a new perspective to notions of near-term variational quantum algorithms.

Federated learning (FL) has increasingly been deployed, in its vertical form, among organizations to facilitate secure collaborative training over siloed data. In vertical FL (VFL), participants hold disjoint features of the same set of sample instances. Among them, only one has labels. This participant, known as the active party, initiates the training and interacts with the other participants, known as the passive parties. Despite the increasing adoption of VFL, it remains largely unknown if and how the active party can extract feature data from the passive party, especially when training deep neural network (DNN) models. This paper makes the first attempt to study the feature security problem of DNN training in VFL. We consider a DNN model partitioned between active and passive parties, where the latter only holds a subset of the input layer and exhibits some categorical features of binary values. Using a reduction from the Exact Cover problem, we prove that reconstructing those binary features is NP-hard. Through analysis, we demonstrate that, unless the feature dimension is exceedingly large, it remains feasible, both theoretically and practically, to launch a reconstruction attack with an efficient search-based algorithm that prevails over current feature protection techniques. To address this problem, we develop a novel feature protection scheme against the reconstruction attack that effectively misleads the search to some pre-specified random values. With an extensive set of experiments, we show that our protection scheme sustains the feature reconstruction attack in various VFL applications at no expense of accuracy loss.

Deep neural network (DNN) classifiers are vulnerable to backdoor attacks. An adversary poisons some of the training data in such attacks by installing a trigger. The goal is to make the trained DNN output the attacker's desired class whenever the trigger is activated while performing as usual for clean data. Various approaches have recently been proposed to detect malicious backdoored DNNs. However, a robust, end-to-end training approach, like adversarial training, is yet to be discovered for backdoor poisoned data. In this paper, we take the first step toward such methods by developing a robust training framework, COLLIDER, that selects the most prominent samples by exploiting the underlying geometric structures of the data. Specifically, we effectively filter out candidate poisoned data at each training epoch by solving a geometrical coreset selection objective. We first argue how clean data samples exhibit (1) gradients similar to the clean majority of data and (2) low local intrinsic dimensionality (LID). Based on these criteria, we define a novel coreset selection objective to find such samples, which are used for training a DNN. We show the effectiveness of the proposed method for robust training of DNNs on various poisoned datasets, reducing the backdoor success rate significantly.

Quantum walks on binary trees are used in many quantum algorithms to achieve important speedup over classical algorithms. The formulation of this kind of algorithms as quantum circuit present the advantage of being easily readable, executable on circuit based quantum computers and simulators and optimal on the usage of resources. We propose a strategy to compose quantum circuit that performs quantum walk on binary trees following universal gate model quantum computation principles. We give a particular attention to NAND formula evaluation algorithm as it could have many applications in game theory and reinforcement learning. We therefore propose an application of this algorithm and show how it can be used to train a quantum reinforcement learning agent in a two player game environment.

We study sequential bilateral trade where sellers and buyers valuations are completely arbitrary (i.e., determined by an adversary). Sellers and buyers are strategic agents with private valuations for the good and the goal is to design a mechanism that maximizes efficiency (or gain from trade) while being incentive compatible, individually rational and budget balanced. In this paper we consider gain from trade which is harder to approximate than social welfare. We consider a variety of feedback scenarios and distinguish the cases where the mechanism posts one price and when it can post different prices for buyer and seller. We show several surprising results about the separation between the different scenarios. In particular we show that (a) it is impossible to achieve sublinear $\alpha$-regret for any $\alpha<2$, (b) but with full feedback sublinear $2$-regret is achievable (c) with a single price and partial feedback one cannot get sublinear $\alpha$ regret for any constant $\alpha$ (d) nevertheless, posting two prices even with one-bit feedback achieves sublinear $2$-regret, and (e) there is a provable separation in the $2$-regret bounds between full and partial feedback.

Charts are very popular to analyze data and convey important insights. People often analyze visualizations to answer open-ended questions that require explanatory answers. Answering such questions are often difficult and time-consuming as it requires a lot of cognitive and perceptual efforts. To address this challenge, we introduce a new task called OpenCQA, where the goal is to answer an open-ended question about a chart with descriptive texts. We present the annotation process and an in-depth analysis of our dataset. We implement and evaluate a set of baselines under three practical settings. In the first setting, a chart and the accompanying article is provided as input to the model. The second setting provides only the relevant paragraph(s) to the chart instead of the entire article, whereas the third setting requires the model to generate an answer solely based on the chart. Our analysis of the results show that the top performing models generally produce fluent and coherent text while they struggle to perform complex logical and arithmetic reasoning.

Improving fairness between privileged and less-privileged sensitive attribute groups (e.g, {race, gender}) has attracted lots of attention. To enhance the model performs uniformly well in different sensitive attributes, we propose a principled \underline{R}obust \underline{A}dversarial \underline{A}ttribute \underline{N}eighbourhood (RAAN) loss to debias the classification head and promote a fairer representation distribution across different sensitive attribute groups. The key idea of RAAN is to mitigate the differences of biased representations between different sensitive attribute groups by assigning each sample an adversarial robust weight, which is defined on the representations of adversarial attribute neighbors, i.e, the samples from different protected groups. To provide efficient optimization algorithms, we cast the RAAN into a sum of coupled compositional functions and propose a stochastic adaptive (Adam-style) and non-adaptive (SGD-style) algorithm framework SCRAAN with provable theoretical guarantee. Extensive empirical studies on fairness-related benchmark datasets verify the effectiveness of the proposed method.

Data augmentation is key to improving the generalization ability of deep learning models. Mixup is a simple and widely-used data augmentation technique that has proven effective in alleviating the problems of overfitting and data scarcity. Also, recent studies of saliency-aware Mixup in the image domain show that preserving discriminative parts is beneficial to improving the generalization performance. However, these Mixup-based data augmentations are underexplored in 3D vision, especially in point clouds. In this paper, we propose SageMix, a saliency-guided Mixup for point clouds to preserve salient local structures. Specifically, we extract salient regions from two point clouds and smoothly combine them into one continuous shape. With a simple sequential sampling by re-weighted saliency scores, SageMix preserves the local structure of salient regions. Extensive experiments demonstrate that the proposed method consistently outperforms existing Mixup methods in various benchmark point cloud datasets. With PointNet++, our method achieves an accuracy gain of 2.6% and 4.0% over standard training in 3D Warehouse dataset (MN40) and ScanObjectNN, respectively. In addition to generalization performance, SageMix improves robustness and uncertainty calibration. Moreover, when adopting our method to various tasks including part segmentation and standard 2D image classification, our method achieves competitive performance.

Counterfactual explanations have substantially increased in popularity in the past few years as a useful human-centric way of understanding individual black-box model predictions. While several properties desired of high-quality counterfactuals have been identified in the literature, three crucial concerns: the speed of explanation generation, robustness/sensitivity and succinctness of explanations (sparsity) have been relatively unexplored. In this paper, we present FASTER-CE: a novel set of algorithms to generate fast, sparse, and robust counterfactual explanations. The key idea is to efficiently find promising search directions for counterfactuals in a latent space that is specified via an autoencoder. These directions are determined based on gradients with respect to each of the original input features as well as of the target, as estimated in the latent space. The ability to quickly examine combinations of the most promising gradient directions as well as to incorporate additional user-defined constraints allows us to generate multiple counterfactual explanations that are sparse, realistic, and robust to input manipulations. Through experiments on three datasets of varied complexities, we show that FASTER-CE is not only much faster than other state of the art methods for generating multiple explanations but also is significantly superior when considering a larger set of desirable (and often conflicting) properties. Specifically we present results across multiple performance metrics: sparsity, proximity, validity, speed of generation, and the robustness of explanations, to highlight the capabilities of the FASTER-CE family.

Human brains are commonly modeled as networks of Regions of Interest (ROIs) and their connections for the understanding of brain functions and mental disorders. Recently, Transformer-based models have been studied over different types of data, including graphs, shown to bring performance gains widely. In this work, we study Transformer-based models for brain network analysis. Driven by the unique properties of data, we model brain networks as graphs with nodes of fixed size and order, which allows us to (1) use connection profiles as node features to provide natural and low-cost positional information and (2) learn pair-wise connection strengths among ROIs with efficient attention weights across individuals that are predictive towards downstream analysis tasks. Moreover, we propose an Orthonormal Clustering Readout operation based on self-supervised soft clustering and orthonormal projection. This design accounts for the underlying functional modules that determine similar behaviors among groups of ROIs, leading to distinguishable cluster-aware node embeddings and informative graph embeddings. Finally, we re-standardize the evaluation pipeline on the only one publicly available large-scale brain network dataset of ABIDE, to enable meaningful comparison of different models. Experiment results show clear improvements of our proposed Brain Network Transformer on both the public ABIDE and our restricted ABCD datasets. The implementation is available at https://github.com/Wayfear/BrainNetworkTransformer.

Although deep learning has made great progress in recent years, the exploding economic and environmental costs of training neural networks are becoming unsustainable. To address this problem, there has been a great deal of research on *algorithmically-efficient deep learning*, which seeks to reduce training costs not at the hardware or implementation level, but through changes in the semantics of the training program. In this paper, we present a structured and comprehensive overview of the research in this field. First, we formalize the *algorithmic speedup* problem, then we use fundamental building blocks of algorithmically efficient training to develop a taxonomy. Our taxonomy highlights commonalities of seemingly disparate methods and reveals current research gaps. Next, we present evaluation best practices to enable comprehensive, fair, and reliable comparisons of speedup techniques. To further aid research and applications, we discuss common bottlenecks in the training pipeline (illustrated via experiments) and offer taxonomic mitigation strategies for them. Finally, we highlight some unsolved research challenges and present promising future directions.

Unsupervised reinforcement learning aims at learning a generalist policy in a reward-free manner for fast adaptation to downstream tasks. Most of the existing methods propose to provide an intrinsic reward based on surprise. Maximizing or minimizing surprise drives the agent to either explore or gain control over its environment. However, both strategies rely on a strong assumption: the entropy of the environment's dynamics is either high or low. This assumption may not always hold in real-world scenarios, where the entropy of the environment's dynamics may be unknown. Hence, choosing between the two objectives is a dilemma. We propose a novel yet simple mixture of policies to address this concern, allowing us to optimize an objective that simultaneously maximizes and minimizes the surprise. Concretely, we train one mixture component whose objective is to maximize the surprise and another whose objective is to minimize the surprise. Hence, our method does not make assumptions about the entropy of the environment's dynamics. We call our method a $\textbf{M}\text{ixture }\textbf{O}\text{f }\textbf{S}\text{urprise}\textbf{S}$ (MOSS) for unsupervised reinforcement learning. Experimental results show that our simple method achieves state-of-the-art performance on the URLB benchmark, outperforming previous pure surprise maximization-based objectives. Our code is available at: https://github.com/LeapLabTHU/MOSS.

An additive autoencoder for dimension reduction, which is composed of a serially performed bias estimation, linear trend estimation, and nonlinear residual estimation, is proposed and analyzed. Computational experiments confirm that an autoencoder of this form, with only a shallow network to encapsulate the nonlinear behavior, is able to identify an intrinsic dimension of a dataset with a low autoencoding error. This observation leads to an investigation in which shallow and deep network structures, and how they are trained, are compared. We conclude that the deeper network structures obtain lower autoencoding errors during the identification of the intrinsic dimension. However, the detected dimension does not change compared to a shallow network.

Deep learning has performed remarkably well on many tasks recently. However, the superior performance of deep models relies heavily on the availability of a large number of training data, which limits the wide adaptation of deep models on various clinical and affective computing tasks, as the labeled data are usually very limited. As an effective technique to increase the data variability and thus train deep models with better generalization, data augmentation (DA) is a critical step for the success of deep learning models on biobehavioral time series data. However, the effectiveness of various DAs for different datasets with different tasks and deep models is understudied for biobehavioral time series data. In this paper, we first systematically review eight basic DA methods for biobehavioral time series data, and evaluate the effects on seven datasets with three backbones. Next, we explore adapting more recent DA techniques (i.e., automatic augmentation, random augmentation) to biobehavioral time series data by designing a new policy architecture applicable to time series data. Last, we try to answer the question of why a DA is effective (or not) by first summarizing two desired attributes for augmentations (challenging and faithful), and then utilizing two metrics to quantitatively measure the corresponding attributes, which can guide us in the search for more effective DA for biobehavioral time series data by designing more challenging but still faithful transformations. Our code and results are available at Link.

Applying knowledge distillation to personalized cross-silo federated learning can well alleviate the problem of user heterogeneity. This approach, however, requires a proxy dataset, which is difficult to obtain in the real world. Moreover, the global model based on parameter averaging will lead to the leakage of user privacy. We introduce a distributed three-player GAN to implement datafree co-distillation between clients. This technique mitigates the user heterogeneity problem and better protects user privacy. We confirmed that thefake samples generated by GAN can make federated distillation more efficient and robust, and the co-distillation can achieve good performance for individual clients on the basis of obtaining global knowledge. Our extensive experiments on benchmark datasets demonstrate the superior generalization performance of the proposed methods, compared with the state-of-the-art.

A deeper network structure generally handles more complicated non-linearity and performs more competitively. Nowadays, advanced network designs often contain a large number of repetitive structures (e.g., Transformer). They empower the network capacity to a new level but also increase the model size inevitably, which is unfriendly to either model restoring or transferring. In this study, we are the first to investigate the representative potential of fixed random weights with limited unique values by learning diverse masks and introduce the Parameter-Efficient Masking Networks (PEMN). It also naturally leads to a new paradigm for model compression to diminish the model size. Concretely, motivated by the repetitive structures in modern neural networks, we utilize one random initialized layer, accompanied with different masks, to convey different feature mappings and represent repetitive network modules. Therefore, the model can be expressed as \textit{one-layer} with a bunch of masks, which significantly reduce the model storage cost. Furthermore, we enhance our strategy by learning masks for a model filled by padding a given random weights vector. In this way, our method can further lower the space complexity, especially for models without many repetitive architectures. We validate the potential of PEMN learning masks on random weights with limited unique values and test its effectiveness for a new compression paradigm based on different network architectures. Code is available at https://github.com/yueb17/PEMN

This paper presents a novel data-driven framework to aid in system state estimation when the power system is under unobservable false data injection attacks. The proposed framework dynamically detects and classifies false data injection attacks. Then, it retrieves the control signal using the acquired information. This process is accomplished in three main modules, with novel designs, for detection, classification, and control signal retrieval. The detection module monitors historical changes in phasor measurements and captures any deviation pattern caused by an attack on a complex plane. This approach can help to reveal characteristics of the attacks including the direction, magnitude, and ratio of the injected false data. Using this information, the signal retrieval module can easily recover the original control signal and remove the injected false data. Further information regarding the attack type can be obtained through the classifier module. The proposed ensemble learner is compatible with harsh learning conditions including the lack of labeled data, concept drift, concept evolution, recurring classes, and independence from external updates. The proposed novel classifier can dynamically learn from data and classify attacks under all these harsh learning conditions. The introduced framework is evaluated w.r.t. real-world data captured from the Central New York Power System. The obtained results indicate the efficacy and stability of the proposed framework.

Quantum machine learning has shown advantages in many ways compared to classical machine learning. In machine learning, a difficult problem is how to learn a model with high robustness and strong generalization ability from a limited feature space. Combining multiple models as base learners, ensemble learning (EL) can effectively improve the accuracy, generalization ability, and robustness of the final model. The key to EL lies in two aspects, the performance of base learners and the choice of the combination strategy. Recently, quantum EL (QEL) has been studied. However, existing combination strategies in QEL are inadequate in considering the accuracy and variance among base learners. This paper presents a hybrid EL framework that combines quantum and classical advantages. More importantly, we propose an efficient combination strategy for improving the accuracy of classification in the framework. We verify the feasibility and efficiency of our framework and strategy by using the MNIST dataset. Simulation results show that the hybrid EL framework with our combination strategy not only has a higher accuracy and lower variance than the single model without the ensemble, but also has a better accuracy than the majority voting and the weighted voting strategies in most cases.

We consider the estimation of average and counterfactual treatment effects, under two settings: back-door adjustment and front-door adjustment. The goal in both cases is to recover the treatment effect without having an access to a hidden confounder. This objective is attained by first estimating the conditional mean of the desired outcome variable given relevant covariates (the "first stage" regression), and then taking the (conditional) expectation of this function as a "second stage" procedure. We propose to compute these conditional expectations directly using a regression function to the learned input features of the first stage, thus avoiding the need for sampling or density estimation. All functions and features (and in particular, the output features in the second stage) are neural networks learned adaptively from data, with the sole requirement that the final layer of the first stage should be linear. The proposed method is shown to converge to the true causal parameter, and outperforms the recent state-of-the-art methods on challenging causal benchmarks, including settings involving high-dimensional image data.

This paper reviews gradient-based techniques to solve bilevel optimization problems. Bilevel optimization is a general way to frame the learning of systems that are implicitly defined through a quantity that they minimize. This characterization can be applied to neural networks, optimizers, algorithmic solvers and even physical systems, and allows for greater modeling flexibility compared to an explicit definition of such systems. Here we focus on gradient-based approaches that solve such problems. We distinguish them in two categories: those rooted in implicit differentiation, and those that leverage the equilibrium propagation theorem. We present the mathematical foundations that are behind such methods, introduce the gradient-estimation algorithms in detail and compare the competitive advantages of the different approaches.

Stochastic dynamics are ubiquitous in many fields of science, from the evolution of quantum systems in physics to diffusion-based models in machine learning. Existing methods such as score matching can be used to simulate these physical processes by assuming that the dynamics is a diffusion, which is not always the case. In this work, we propose a method called "Action Matching" that enables us to learn a much broader family of stochastic dynamics. Our method requires access only to samples from different time-steps, makes no explicit assumptions about the underlying dynamics, and can be applied even when samples are uncorrelated (i.e., are not part of a trajectory). Action Matching directly learns an underlying mechanism to move samples in time without modeling the distributions at each time-step. In this work, we showcase how Action Matching can be used for several computer vision tasks such as generative modeling, super-resolution, colorization, and inpainting; and further discuss potential applications in other areas of science.

Calibration can reduce overconfident predictions of deep neural networks, but can calibration also accelerate training by selecting the right samples? In this paper, we show that it can. We study the effect of popular calibration techniques in selecting better subsets of samples during training (also called sample prioritization) and observe that calibration can improve the quality of subsets, reduce the number of examples per epoch (by at least 70%), and can thereby speed up the overall training process. We further study the effect of using calibrated pre-trained models coupled with calibration during training to guide sample prioritization, which again seems to improve the quality of samples selected.

We develop a new reduction that converts any online convex optimization algorithm suffering $O(\sqrt{T})$ regret into an $\epsilon$-differentially private stochastic convex optimization algorithm with the optimal convergence rate $\tilde O(1/\sqrt{T} + \sqrt{d}/\epsilon T)$ on smooth losses in linear time, forming a direct analogy to the classical non-private "online-to-batch" conversion. By applying our techniques to more advanced adaptive online algorithms, we produce adaptive differentially private counterparts whose convergence rates depend on apriori unknown variances or parameter norms.

An important feature of kernel mean embeddings (KME) is that the rate of convergence of the empirical KME to the true distribution KME can be bounded independently of the dimension of the space, properties of the distribution and smoothness features of the kernel. We show how to speed-up convergence by leveraging variance information in the RKHS. Furthermore, we show that even when such information is a priori unknown, we can efficiently estimate it from the data, recovering the desiderata of a distribution agnostic bound that enjoys acceleration in fortuitous settings. We illustrate our methods in the context of hypothesis testing and robust parametric estimation.

Short-term passenger flow prediction is an important but challenging task for better managing urban rail transit (URT) systems. Some emerging deep learning models provide good insights to improve short-term prediction accuracy. However, there exist many complex spatiotemporal dependencies in URT systems. Most previous methods only consider the absolute error between ground truth and predictions as the optimization objective, which fails to account for spatial and temporal constraints on the predictions. Furthermore, a large number of existing prediction models introduce complex neural network layers to improve accuracy while ignoring their training efficiency and memory occupancy, decreasing the chances to be applied to the real world. To overcome these limitations, we propose a novel deep learning-based spatiotemporal graph generative adversarial network (STG-GAN) model with higher prediction accuracy, higher efficiency, and lower memory occupancy to predict short-term passenger flows of the URT network. Our model consists of two major parts, which are optimized in an adversarial learning manner: (1) a generator network including gated temporal conventional networks (TCN) and weight sharing graph convolution networks (GCN) to capture structural spatiotemporal dependencies and generate predictions with a relatively small computational burden; (2) a discriminator network including a spatial discriminator and a temporal discriminator to enhance the spatial and temporal constraints of the predictions. The STG-GAN is evaluated on two large-scale real-world datasets from Beijing Subway. A comparison with those of several state-of-the-art models illustrates its superiority and robustness. This study can provide critical experience in conducting short-term passenger flow predictions, especially from the perspective of real-world applications.

The mixing time of the Markov chain induced by a policy limits performance in real-world continual learning scenarios. Yet, the effect of mixing times on learning in continual reinforcement learning (RL) remains underexplored. In this paper, we characterize problems that are of long-term interest to the development of continual RL, which we call scalable MDPs, through the lens of mixing times. In particular, we theoretically establish that scalable MDPs have mixing times that scale polynomially with the size of the problem. We go on to demonstrate that polynomial mixing times present significant difficulties for existing approaches, which suffer from myopic bias and stale bootstrapped estimates. To validate our theory, we study the empirical scaling behavior of mixing times with respect to the number of tasks and task duration for high performing policies deployed across multiple Atari games. Our analysis demonstrates both that polynomial mixing times do emerge in practice and how their existence may lead to unstable learning behavior like catastrophic forgetting in continual learning settings.

We consider a hybrid reinforcement learning setting (Hybrid RL), in which an agent has access to an offline dataset and the ability to collect experience via real-world online interaction. The framework mitigates the challenges that arise in both pure offline and online RL settings, allowing for the design of simple and highly effective algorithms, in both theory and practice. We demonstrate these advantages by adapting the classical Q learning/iteration algorithm to the hybrid setting, which we call Hybrid Q-Learning or Hy-Q. In our theoretical results, we prove that the algorithm is both computationally and statistically efficient whenever the offline dataset supports a high-quality policy and the environment has bounded bilinear rank. Notably, we require no assumptions on the coverage provided by the initial distribution, in contrast with guarantees for policy gradient/iteration methods. In our experimental results, we show that Hy-Q with neural network function approximation outperforms state-of-the-art online, offline, and hybrid RL baselines on challenging benchmarks, including Montezuma's Revenge.

Compact neural networks used in policy learning and closed-loop end-to-end control learn representations from data that encapsulate agent dynamics and potentially the agent-environment's factors of variation. A formal and quantitative understanding and interpretation of these explanatory factors in neural representations is difficult to achieve due to the complex and intertwined correspondence of neural activities with emergent behaviors. In this paper, we design a new algorithm that programmatically extracts tree representations from compact neural policies, in the form of a set of logic programs grounded by the world state. To assess how well networks uncover the dynamics of the task and their factors of variation, we introduce interpretability metrics that measure the disentanglement of learned neural dynamics from a concentration of decisions, mutual information, and modularity perspectives. Moreover, our method allows us to quantify how accurate the extracted decision paths (explanations) are and computes cross-neuron logic conflict. We demonstrate the effectiveness of our approach with several types of compact network architectures on a series of end-to-end learning to control tasks.

Natural agents can effectively learn from multiple data sources that differ in size, quality, and types of measurements. We study this heterogeneity in the context of offline reinforcement learning (RL) by introducing a new, practically motivated semi-supervised setting. Here, an agent has access to two sets of trajectories: labelled trajectories containing state, action, reward triplets at every timestep, along with unlabelled trajectories that contain only state and reward information. For this setting, we develop a simple meta-algorithmic pipeline that learns an inverse-dynamics model on the labelled data to obtain proxy-labels for the unlabelled data, followed by the use of any offline RL algorithm on the true and proxy-labelled trajectories. Empirically, we find this simple pipeline to be highly successful -- on several D4RL benchmarks \cite{fu2020d4rl}, certain offline RL algorithms can match the performance of variants trained on a fully labeled dataset even when we label only 10\% trajectories from the low return regime. Finally, we perform a large-scale controlled empirical study investigating the interplay of data-centric properties of the labelled and unlabelled datasets, with algorithmic design choices (e.g., inverse dynamics, offline RL algorithm) to identify general trends and best practices for training RL agents on semi-supervised offline datasets.

Based on the concepts of Wasserstein barycenter (WB) and Gromov-Wasserstein barycenter (GWB), we propose a unified mathematical framework for neural network (NN) model fusion and utilize it to reveal new insights about the linear mode connectivity of SGD solutions. In our framework, the fusion occurs in a layer-wise manner and builds on an interpretation of a node in a network as a function of the layer preceding it. The versatility of our mathematical framework allows us to talk about model fusion and linear mode connectivity for a broad class of NNs, including fully connected NN, CNN, ResNet, RNN, and LSTM, in each case exploiting the specific structure of the network architecture. We present extensive numerical experiments to: 1) illustrate the strengths of our approach in relation to other model fusion methodologies and 2) from a certain perspective, provide new empirical evidence for recent conjectures which say that two local minima found by gradient-based methods end up lying on the same basin of the loss landscape after a proper permutation of weights is applied to one of the models.

The utilization of broad datasets has proven to be crucial for generalization for a wide range of fields. However, how to effectively make use of diverse multi-task data for novel downstream tasks still remains a grand challenge in robotics. To tackle this challenge, we introduce a framework that acquires goal-conditioned policies for unseen temporally extended tasks via offline reinforcement learning on broad data, in combination with online fine-tuning guided by subgoals in learned lossy representation space. When faced with a novel task goal, the framework uses an affordance model to plan a sequence of lossy representations as subgoals that decomposes the original task into easier problems. Learned from the broad data, the lossy representation emphasizes task-relevant information about states and goals while abstracting away redundant contexts that hinder generalization. It thus enables subgoal planning for unseen tasks, provides a compact input to the policy, and facilitates reward shaping during fine-tuning. We show that our framework can be pre-trained on large-scale datasets of robot experiences from prior work and efficiently fine-tuned for novel tasks, entirely from visual inputs without any manual reward engineering.

Upon the significant performance of the supervised deep neural networks, conventional procedures of developing ML system are \textit{task-centric}, which aims to maximize the task accuracy. However, we scrutinized this \textit{task-centric} ML system lacks in engineering efficiency when the ML practitioners solve multiple tasks in their domain. To resolve this problem, we propose an \textit{efficiency-centric} ML system that concatenates numerous datasets, classifiers, out-of-distribution detectors, and prediction tables existing in the practitioners' domain into a single ML pipeline. Under various image recognition tasks in the real world car-sharing platform, our study illustrates how we established the proposed system and lessons learned from this journey as follows. First, the proposed ML system accomplishes supreme engineering efficiency while achieving a competitive task accuracy. Moreover, compared to the \textit{task-centric} paradigm, we discovered that the \textit{efficiency-centric} ML system yields satisfactory prediction results on multi-labelable samples, which frequently exist in the real world. We analyze these benefits derived from the representation power, which learned broader label spaces from the concatenated dataset. Last but not least, our study elaborated how we deployed this \textit{efficiency-centric} ML system is deployed in the real world live cloud environment. Based on the proposed analogies, we highly expect that ML practitioners can utilize our study to elevate engineering efficiency in their domain.

Bayesian optimization (BO) is a popular global optimization scheme for sample-efficient optimization in domains with expensive function evaluations. The existing BO techniques are capable of finding a single global optimum solution. However, finding a set of global and local optimum solutions is crucial in a wide range of real-world problems, as implementing some of the optimal solutions might not be feasible due to various practical restrictions (e.g., resource limitation, physical constraints, etc.). In such domains, if multiple solutions are known, the implementation can be quickly switched to another solution, and the best possible system performance can still be obtained. This paper develops a multi-modal BO framework to effectively find a set of local/global solutions for expensive-to-evaluate multi-modal objective functions. We consider the standard BO setting with Gaussian process regression representing the objective function. We analytically derive the joint distribution of the objective function and its first-order gradients. This joint distribution is used in the body of the BO acquisition functions to search for local optima during the optimization process. We introduce variants of the well-known BO acquisition functions to the multi-modal setting and demonstrate the performance of the proposed framework in locating a set of local optimum solutions using multiple optimization problems.

Stochastic Gradient Descent (SGD) has been the method of choice for learning large-scale non-convex models. While a general analysis of when SGD works has been elusive, there has been a lot of recent progress in understanding the convergence of Gradient Flow (GF) on the population loss, partly due to the simplicity that a continuous-time analysis buys us. An overarching theme of our paper is providing general conditions under which SGD converges, assuming that GF on the population loss converges. Our main tool to establish this connection is a general converse Lyapunov like theorem, which implies the existence of a Lyapunov potential under mild assumptions on the rates of convergence of GF. In fact, using these potentials, we show a one-to-one correspondence between rates of convergence of GF and geometrical properties of the underlying objective. When these potentials further satisfy certain self-bounding properties, we show that they can be used to provide a convergence guarantee for Gradient Descent (GD) and SGD (even when the paths of GF and GD/SGD are quite far apart). It turns out that these self-bounding assumptions are in a sense also necessary for GD/SGD to work. Using our framework, we provide a unified analysis for GD/SGD not only for classical settings like convex losses, or objectives that satisfy PL / KL properties, but also for more complex problems including Phase Retrieval and Matrix sq-root, and extending the results in the recent work of Chatterjee 2022.

The old empathetic adage, ``Walk a mile in their shoes,'' asks that one imagine the difficulties others may face. This suggests a new ML counterfactual fairness criterion, based on a \textit{group} level: How would members of a nonprotected group fare if their group were subject to conditions in some protected group? Instead of asking what sentence would a particular Caucasian convict receive if he were Black, take that notion to entire groups; e.g. how would the average sentence for all White convicts change if they were Black, but with their same White characteristics, e.g. same number of prior convictions? We frame the problem and study it empirically, for different datasets. Our approach also is a solution to the problem of covariate correlation with sensitive attributes.

Computer simulations have proven a valuable tool for understanding complex phenomena across the sciences. However, the utility of simulators for modelling and forecasting purposes is often restricted by low data quality, as well as practical limits to model fidelity. In order to circumvent these difficulties, we argue that modellers must treat simulators as idealistic representations of the true data generating process, and consequently should thoughtfully consider the risk of model misspecification. In this work we revisit neural posterior estimation (NPE), a class of algorithms that enable black-box parameter inference in simulation models, and consider the implication of a simulation-to-reality gap. While recent works have demonstrated reliable performance of these methods, the analyses have been performed using synthetic data generated by the simulator model itself, and have therefore only addressed the well-specified case. In this paper, we find that the presence of misspecification, in contrast, leads to unreliable inference when NPE is used naively. As a remedy we argue that principled scientific inquiry with simulators should incorporate a model criticism component, to facilitate interpretable identification of misspecification and a robust inference component, to fit 'wrong but useful' models. We propose robust neural posterior estimation (RNPE), an extension of NPE to simultaneously achieve both these aims, through explicitly modelling the discrepancies between simulations and the observed data. We assess the approach on a range of artificially misspecified examples, and find RNPE performs well across the tasks, whereas naively using NPE leads to misleading and erratic posteriors.

Quantitative Susceptibility Mapping is a parametric imaging technique to estimate the magnetic susceptibilities of biological tissues from MRI phase measurements. This problem of estimating the susceptibility map is ill posed. Regularized recovery approaches exploiting signal properties such as smoothness and sparsity improve reconstructions, but suffer from over-smoothing artifacts. Deep learning approaches have shown great potential and generate maps with reduced artifacts. However, for reasonable reconstructions and network generalization, they require numerous training datasets resulting in increased data acquisition time. To overcome this issue, we proposed a subject-specific, patch-based, unsupervised learning algorithm to estimate the susceptibility map. We make the problem well-posed by exploiting the redundancies across the patches of the map using a deep convolutional neural network. We formulated the recovery of the susceptibility map as a regularized optimization problem and adopted an alternating minimization strategy to solve it. We tested the algorithm on a 3D invivo dataset and, qualitatively and quantitatively, demonstrated improved reconstructions over competing methods.

Recurrent neural networks (RNNs) are widely used throughout neuroscience as models of local neural activity. Many properties of single RNNs are well characterized theoretically, but experimental neuroscience has moved in the direction of studying multiple interacting areas, and RNN theory needs to be likewise extended. We take a constructive approach towards this problem, leveraging tools from nonlinear control theory and machine learning to characterize when combinations of stable RNNs will themselves be stable. Importantly, we derive conditions which allow for massive feedback connections between interacting RNNs. We parameterize these conditions for easy optimization using gradient-based techniques, and show that stability-constrained "networks of networks" can perform well on challenging sequential-processing benchmark tasks. Altogether, our results provide a principled approach towards understanding distributed, modular function in the brain.

In this paper, we present a proof of concept for adversarially attacking the image-based localization module of an autonomous vehicle. This attack aims to cause the vehicle to perform a wrong navigational decisions and prevent it from reaching a desired predefined destination in a simulated urban environment. A database of rendered images allowed us to train a deep neural network that performs a localization task and implement, develop and assess the adversarial pattern. Our tests show that using this adversarial attack we can prevent the vehicle from turning at a given intersection. This is done by manipulating the vehicle's navigational module to falsely estimate its current position and thus fail to initialize the turning procedure until the vehicle misses the last opportunity to perform a safe turn in a given intersection.

Brain-inspired spiking neural networks (SNNs) have recently drawn more and more attention due to their event-driven and energy-efficient characteristics. The integration of storage and computation paradigm on neuromorphic hardwares makes SNNs much different from Deep Neural Networks (DNNs). In this paper, we argue that SNNs may not benefit from the weight-sharing mechanism, which can effectively reduce parameters and improve inference efficiency in DNNs, in some hardwares, and assume that an SNN with unshared convolution kernels could perform better. Motivated by this assumption, a training-inference decoupling method for SNNs named as Real Spike is proposed, which not only enjoys both unshared convolution kernels and binary spikes in inference-time but also maintains both shared convolution kernels and Real-valued Spikes during training. This decoupling mechanism of SNN is realized by a re-parameterization technique. Furthermore, based on the training-inference-decoupled idea, a series of different forms for implementing Real Spike on different levels are presented, which also enjoy shared convolutions in the inference and are friendly to both neuromorphic and non-neuromorphic hardware platforms. A theoretical proof is given to clarify that the Real Spike-based SNN network is superior to its vanilla counterpart. Experimental results show that all different Real Spike versions can consistently improve the SNN performance. Moreover, the proposed method outperforms the state-of-the-art models on both non-spiking static and neuromorphic datasets.

In the traditional federated learning setting, a central server coordinates a network of clients to train one global model. However, the global model may serve many clients poorly due to data heterogeneity. Moreover, there may not exist a trusted central party that can coordinate the clients to ensure that each of them can benefit from others. To address these concerns, we present a novel decentralized framework, FedeRiCo, where each client can learn as much or as little from other clients as is optimal for its local data distribution. Based on expectation-maximization, FedeRiCo estimates the utilities of other participants' models on each client's data so that everyone can select the right collaborators for learning. As a result, our algorithm outperforms other federated, personalized, and/or decentralized approaches on several benchmark datasets, being the only approach that consistently performs better than training with local data only.

To operate safely, an automated vehicle (AV) must anticipate how the environment around it will evolve. For that purpose, it is important to know which prediction models are most appropriate for every situation. Currently, assessment of prediction models is often performed over a set of trajectories without distinction of the type of movement they capture, resulting in the inability to determine the suitability of each model for different situations. In this work we illustrate how standardized evaluation methods result in wrong conclusions regarding a model's predictive capabilities, preventing a clear assessment of prediction models and potentially leading to dangerous on-road situations. We argue that following evaluation practices in safety assessment for AVs, assessment of prediction models should be performed in a scenario-based fashion. To encourage scenario-based assessment of prediction models and illustrate the dangers of improper assessment, we categorize trajectories of the Waymo Open Motion dataset according to the type of movement they capture. Next, three different models are thoroughly evaluated for different trajectory types and prediction horizons. Results show that common evaluation methods are insufficient and the assessment should be performed depending on the application in which the model will operate.

StyleGAN is the open-sourced TensorFlow implementation made by NVIDIA. It has revolutionized high quality facial image generation. However, this democratization of Artificial Intelligence / Machine Learning (AI/ML) algorithms has enabled hostile threat actors to establish cyber personas or sock-puppet accounts in social media platforms. These ultra-realistic synthetic faces. This report surveys the relevance of AI/ML with respect to Cyber & Information Operations. The proliferation of AI/ML algorithms has led to a rise in DeepFakes and inauthentic social media accounts. Threats are analyzed within the Strategic and Operational Environments. Existing methods of identifying synthetic faces exists, but they rely on human beings to visually scrutinize each photo for inconsistencies. However, through use of the DLIB 68-landmark pre-trained file, it is possible to analyze and detect synthetic faces by exploiting repetitive behaviors in StyleGAN images. Project Blade Runner encompasses two scripts necessary to counter StyleGAN images. Through PapersPlease.py acting as the analyzer, it is possible to derive indicators-of-attack (IOA) from scraped image samples. These IOAs can be fed back into among_us.py acting as the detector to identify synthetic faces from live operational samples. The opensource copy of Blade Runner may lack additional unit tests and some functionality, but the open-source copy is a redacted version, far leaner, better optimized, and a proof-of-concept for the information security community. The desired end-state will be to incrementally add automation to stay on-par with its closed-source predecessor.

In modern communication systems, channel state information is of paramount importance to achieve capacity. It is then crucial to accurately estimate the channel. It is possible to perform SISO-OFDM channel estimation using sparse recovery techniques. However, this approach relies on the use of a physical wave propagation model to build a dictionary, which requires perfect knowledge of the system's parameters. In this paper, an unfolded neural network is used to lighten this constraint. Its architecture, based on a sparse recovery algorithm, allows SISO-OFDM channel estimation even if the system's parameters are not perfectly known. Indeed, its unsupervised online learning allows to learn the system's imperfections in order to enhance the estimation performance. The practicality of the proposed method is improved with respect to the state of the art in two aspects: constrained dictionaries are introduced in order to reduce sample complexity and hierarchical search within dictionaries is proposed in order to reduce time complexity. Finally, the performance of the proposed unfolded network is evaluated and compared to several baselines using realistic channel data, showing the great potential of the approach.

In this paper, we propose a differentiable WORLD synthesizer and demonstrate its use in end-to-end audio style transfer tasks such as (singing) voice conversion and the DDSP timbre transfer task. Accordingly, our baseline differentiable synthesizer has no model parameters, yet it yields adequate synthesis quality. We can extend the baseline synthesizer by appending lightweight black-box postnets which apply further processing to the baseline output in order to improve fidelity. An alternative differentiable approach considers extraction of the source excitation spectrum directly, which can improve naturalness albeit for a narrower class of style transfer applications. The acoustic feature parameterization used by our approaches has the added benefit that it naturally disentangles pitch and timbral information so that they can be modeled separately. Moreover, as there exists a robust means of estimating these acoustic features from monophonic audio sources, it allows for parameter loss terms to be added to an end-to-end objective function, which can help convergence and/or further stabilize (adversarial) training.

Pretraining multimodal models on Electronic Health Records (EHRs) provides a means of learning representations that can transfer to downstream tasks with minimal supervision. Recent multimodal models induce soft local alignments between image regions and sentences. This is of particular interest in the medical domain, where alignments might highlight regions in an image relevant to specific phenomena described in free-text. While past work has suggested that attention "heatmaps" can be interpreted in this manner, there has been little evaluation of such alignments. We compare alignments from a state-of-the-art multimodal (image and text) model for EHR with human annotations that link image regions to sentences. Our main finding is that the text has an often weak or unintuitive influence on attention; alignments do not consistently reflect basic anatomical information. Moreover, synthetic modifications -- such as substituting "left" for "right" -- do not substantially influence highlights. Simple techniques such as allowing the model to opt out of attending to the image and few-shot finetuning show promise in terms of their ability to improve alignments with very little or no supervision.

Deep learning models are gaining popularity and potency in predicting polymer properties. These models can be built using pre-existing data and are useful for the rapid prediction of polymer properties. However, the performance of a deep learning model is intricately connected to its topology and the volume of training data. There is no facile protocol available to select a deep learning architecture, and there is a lack of a large volume of homogeneous sequence-property data of polymers. These two factors are the primary bottleneck for the efficient development of deep learning models. Here we assess the severity of these factors and propose new algorithms to address them. We show that a linear layer-by-layer expansion of a neural network can help in identifying the best neural network topology for a given problem. Moreover, we map the discrete sequence space of a polymer to a continuous one-dimensional latent space using a machine learning pipeline to identify minimal data points for building a universal deep learning model. We implement these approaches for three representative cases of building sequence-property surrogate models, viz., the single-molecule radius of gyration of a copolymer, adhesive free energy of a copolymer, and copolymer compatibilizer, demonstrating the generality of the proposed strategies. This work establishes efficient methods for building universal deep learning models with minimal data and hyperparameters for predicting sequence-defined properties of polymers.

Machine learning has helped advance the field of anomaly detection by incorporating classifiers and autoencoders to decipher between normal and anomalous behavior. Additionally, federated learning has provided a way for a global model to be trained with multiple clients' data without requiring the client to directly share their data. This paper proposes a novel anomaly detector via federated learning to detect malicious network activity on a client's server. In our experiments, we use an autoencoder with a classifier in a federated learning framework to determine if the network activity is benign or malicious. By using our novel min-max scalar and sampling technique, called FedSam, we determined federated learning allows the global model to learn from each client's data and, in turn, provide a means for each client to improve their intrusion detection system's defense against cyber-attacks.

We present a novel kernel over the space of probability measures based on the dual formulation of optimal regularized transport. We propose an Hilbertian embedding of the space of probabilities using their Sinkhorn potentials, which are solutions of the dual entropic relaxed optimal transport between the probabilities and a reference measure $\mathcal{U}$. We prove that this construction enables to obtain a valid kernel, by using the Hilbert norms. We prove that the kernel enjoys theoretical properties such as universality and some invariances, while still being computationally feasible. Moreover we provide theoretical guarantees on the behaviour of a Gaussian process based on this kernel. The empirical performances are compared with other traditional choices of kernels for processes indexed on distributions.

Treatment effect estimation is a fundamental problem in causal inference. We focus on designing efficient randomized controlled trials, to accurately estimate the effect of some treatment on a population of $n$ individuals. In particular, we study sample-constrained treatment effect estimation, where we must select a subset of $s \ll n$ individuals from the population to experiment on. This subset must be further partitioned into treatment and control groups. Algorithms for partitioning the entire population into treatment and control groups, or for choosing a single representative subset, have been well-studied. The key challenge in our setting is jointly choosing a representative subset and a partition for that set. We focus on both individual and average treatment effect estimation, under a linear effects model. We give provably efficient experimental designs and corresponding estimators, by identifying connections to discrepancy minimization and leverage-score-based sampling used in randomized numerical linear algebra. Our theoretical results obtain a smooth transition to known guarantees when $s$ equals the population size. We also empirically demonstrate the performance of our algorithms.

Domain-specific neural machine translation (NMT) systems (e.g., in educational applications) are socially significant with the potential to help make information accessible to a diverse set of users in multilingual societies. It is desirable that such NMT systems be lexically constrained and draw from domain-specific dictionaries. Dictionaries could present multiple candidate translations for a source words/phrases on account of the polysemous nature of words. The onus is then on the NMT model to choose the contextually most appropriate candidate. Prior work has largely ignored this problem and focused on the single candidate setting where the target word or phrase is replaced by a single constraint. In this work we present DICTDIS, a lexically constrained NMT system that disambiguates between multiple candidate translations derived from dictionaries. We achieve this by augmenting training data with multiple dictionary candidates to actively encourage disambiguation during training. We demonstrate the utility of DICTDIS via extensive experiments on English-Hindi sentences in a variety of domains including news, finance, medicine and engineering. We obtain superior disambiguation performance on all domains with improved fluency in some domains of up to 4 BLEU points, when compared with existing approaches for lexically constrained and unconstrained NMT.

The field of deep clustering combines deep learning and clustering to learn representations that improve both the learned representation and the performance of the considered clustering method. Most existing deep clustering methods are designed for a single clustering method, e.g., k-means, spectral clustering, or Gaussian mixture models, but it is well known that no clustering algorithm works best in all circumstances. Consensus clustering tries to alleviate the individual weaknesses of clustering algorithms by building a consensus between members of a clustering ensemble. Currently, there is no deep clustering method that can include multiple heterogeneous clustering algorithms in an ensemble to update representations and clusterings together. To close this gap, we introduce the idea of a consensus representation that maximizes the agreement between ensemble members. Further, we propose DECCS (Deep Embedded Clustering with Consensus representationS), a deep consensus clustering method that learns a consensus representation by enhancing the embedded space to such a degree that all ensemble members agree on a common clustering result. Our contributions are the following: (1) We introduce the idea of learning consensus representations for heterogeneous clusterings, a novel notion to approach consensus clustering. (2) We propose DECCS, the first deep clustering method that jointly improves the representation and clustering results of multiple heterogeneous clustering algorithms. (3) We show in experiments that learning a consensus representation with DECCS is outperforming several relevant baselines from deep clustering and consensus clustering. Our code can be found at https://gitlab.cs.univie.ac.at/lukas/deccs

Photonic accelerators have attracted increasing attention in artificial intelligence applications. The multi-armed bandit problem is a fundamental problem of decision making using reinforcement learning. However, the scalability of photonic decision making has not yet been demonstrated in experiments, owing to technical difficulties in physical realization. We propose a parallel photonic decision-making system for solving large-scale multi-armed bandit problems using optical spatiotemporal chaos. We solve a 512-armed bandit problem online, which is much larger than previous experiments by two orders of magnitude. The scaling property for correct decision making is examined as a function of the number of slot machines, evaluated as an exponent of 0.86. This exponent is smaller than that in previous work, indicating the superiority of the proposed parallel principle. This experimental demonstration facilitates photonic decision making to solve large-scale multi-armed bandit problems for future photonic accelerators.

In this thesis, we present recent advances at the precision frontier of higher-order quantum chromodynamics (QCD) calculations. We consider massless two-loop five-point amplitudes, with a particular focus on diphoton-plus-jet production through gluon fusion. We build a library of infrared functions up to at most next-to-next-to-leading order (NNLO) in QCD, which can be used to validate amplitudes and construct counterterms in subtraction schemes at NNLO. We review progress in the novel use of machine learning technology to optimise the evaluation of amplitudes in hadron collider simulations. We present the full-colour virtual QCD corrections to diphoton-plus-jet production through gluon fusion, discussing the new techniques developed to calculate these non-planar two-loop amplitudes. We use these amplitudes to compute the next-to-leading QCD corrections to the differential cross sections of diphoton-plus-jet production through gluon fusion at the Large Hadron Collider. We also present the leading-colour double-virtual corrections to hadronic trijet production. All derived amplitudes are made available in a public implementation that is ready for further phenomenological application.

In this paper, we give a method to construct "good" exponential families systematically by representation theory. More precisely, we consider a homogeneous space $G/H$ as a sample space and construct an exponential family invariant under the transformation group $G$ by using a representation of $G$. The method generates widely used exponential families such as normal, gamma, Bernoulli, categorical, Wishart, von Mises, Fisher-Bingham and hyperboloid distributions.

Graph Neural Networks (GNNs) have become a prevailing tool for learning physical dynamics. However, they still encounter several challenges: 1) Physical laws abide by symmetry, which is a vital inductive bias accounting for model generalization and should be incorporated into the model design. Existing simulators either consider insufficient symmetry, or enforce excessive equivariance in practice when symmetry is partially broken by gravity. 2) Objects in the physical world possess diverse shapes, sizes, and properties, which should be appropriately processed by the model. To tackle these difficulties, we propose a novel backbone, Subequivariant Graph Neural Network, which 1) relaxes equivariance to subequivariance by considering external fields like gravity, where the universal approximation ability holds theoretically; 2) introduces a new subequivariant object-aware message passing for learning physical interactions between multiple objects of various shapes in the particle-based representation; 3) operates in a hierarchical fashion, allowing for modeling long-range and complex interactions. Our model achieves on average over 3% enhancement in contact prediction accuracy across 8 scenarios on Physion and 2X lower rollout MSE on RigidFall compared with state-of-the-art GNN simulators, while exhibiting strong generalization and data efficiency.

In the past two decades, most research on anomaly detection has focused on improving the accuracy of the detection, while largely ignoring the explainability of the corresponding methods and thus leaving the explanation of outcomes to practitioners. As anomaly detection algorithms are increasingly used in safety-critical domains, providing explanations for the high-stakes decisions made in those domains has become an ethical and regulatory requirement. Therefore, this work provides a comprehensive and structured survey on state-of-the-art explainable anomaly detection techniques. We propose a taxonomy based on the main aspects that characterize each explainable anomaly detection technique, aiming to help practitioners and researchers find the explainable anomaly detection method that best suits their needs.

Aspect Based Sentiment Analysis is the most granular form of sentiment analysis that can be performed on the documents / sentences. Besides delivering the most insights at a finer grain, it also poses equally daunting challenges. One of them being the shortage of labelled data. To bring in value right out of the box for the text data being generated at a very fast pace in today's world, unsupervised aspect-based sentiment analysis allows us to generate insights without investing time or money in generating labels. From topic modelling approaches to recent deep learning-based aspect extraction models, this domain has seen a lot of development. One of the models that we improve upon is ABAE that reconstructs the sentences as a linear combination of aspect terms present in it, In this research we explore how we can use information from another unsupervised model to regularize ABAE, leading to better performance. We contrast it with baseline rule based ensemble and show that the ensemble methods work better than the individual models and the regularization based ensemble performs better than the rule-based one.

Decision-making is challenging in robotics environments with continuous object-centric states, continuous actions, long horizons, and sparse feedback. Hierarchical approaches, such as task and motion planning (TAMP), address these challenges by decomposing decision-making into two or more levels of abstraction. In a setting where demonstrations and symbolic predicates are given, prior work has shown how to learn symbolic operators and neural samplers for TAMP with manually designed parameterized policies. Our main contribution is a method for learning parameterized polices in combination with operators and samplers. These components are packaged into modular neuro-symbolic skills and sequenced together with search-then-sample TAMP to solve new tasks. In experiments in four robotics domains, we show that our approach -- bilevel planning with neuro-symbolic skills -- can solve a wide range of tasks with varying initial states, goals, and objects, outperforming six baselines and ablations. Video: https://youtu.be/PbFZP8rPuGg Code: https://tinyurl.com/skill-learning

Open-Set Classification (OSC) intends to adapt closed-set classification models to real-world scenarios, where the classifier must correctly label samples of known classes while rejecting previously unseen unknown samples. Only recently, research started to investigate on algorithms that are able to handle these unknown samples correctly. Some of these approaches address OSC by including into the training set negative samples that a classifier learns to reject, expecting that these data increase the robustness of the classifier on unknown classes. Most of these approaches are evaluated on small-scale and low-resolution image datasets like MNIST, SVHN or CIFAR, which makes it difficult to assess their applicability to the real world, and to compare them among each other. We propose three open-set protocols that provide rich datasets of natural images with different levels of similarity between known and unknown classes. The protocols consist of subsets of ImageNet classes selected to provide training and testing data closer to real-world scenarios. Additionally, we propose a new validation metric that can be employed to assess whether the training of deep learning models addresses both the classification of known samples and the rejection of unknown samples. We use the protocols to compare the performance of two baseline open-set algorithms to the standard SoftMax baseline and find that the algorithms work well on negative samples that have been seen during training, and partially on out-of-distribution detection tasks, but drop performance in the presence of samples from previously unseen unknown classes.

In this paper, we show that structures similar to self-attention are natural to learn many sequence-to-sequence problems from the perspective of symmetry. Inspired by language processing applications, we study the orthogonal equivariance of seq2seq functions with knowledge, which are functions taking two inputs -- an input sequence and a ``knowledge'' -- and outputting another sequence. The knowledge consists of a set of vectors in the same embedding space as the input sequence, containing the information of the language used to process the input sequence. We show that orthogonal equivariance in the embedding space is natural for seq2seq functions with knowledge, and under such equivariance the function must take the form close to the self-attention. This shows that network structures similar to self-attention are the right structures to represent the target function of many seq2seq problems. The representation can be further refined if a ``finite information principle'' is considered, or a permutation equivariance holds for the elements of the input sequence.

Active learning (AL) aims to select the most useful data samples from an unlabeled data pool and annotate them to expand the labeled dataset under a limited budget. Especially, uncertainty-based methods choose the most uncertain samples, which are known to be effective in improving model performance. However, AL literature often overlooks training dynamics (TD), defined as the ever-changing model behavior during optimization via stochastic gradient descent, even though other areas of literature have empirically shown that TD provides important clues for measuring the sample uncertainty. In this paper, we propose a novel AL method, Training Dynamics for Active Learning (TiDAL), which leverages the TD to quantify uncertainties of unlabeled data. Since tracking the TD of all the large-scale unlabeled data is impractical, TiDAL utilizes an additional prediction module that learns the TD of labeled data. To further justify the design of TiDAL, we provide theoretical and empirical evidence to argue the usefulness of leveraging TD for AL. Experimental results show that our TiDAL achieves better or comparable performance on both balanced and imbalanced benchmark datasets compared to state-of-the-art AL methods, which estimate data uncertainty using only static information after model training.

Despite tremendous progress in natural language processing using deep learning techniques in recent years, sign language production and comprehension has advanced very little. One critical barrier is the lack of largescale datasets available to the public due to the unbearable cost of labeled data generation. Efforts to provide public data for American Sign Language (ASL) comprehension have yielded two datasets, comprising more than thousand video clips. These datasets are large enough to enable a meaningful start to deep learning research on sign languages but are far too small to lead to any solution that can be practically deployed. So far, there is still no suitable dataset for ASL production. We proposed a system that can generate large scale ASL datasets for continuous ASL. It is suitable for general ASL processing and is particularly useful for ASL production. The continuous ASL dataset contains English labeled human articulations in condensed body pose data formats. To better serve the research community, we are releasing the first version of our ASL dataset, which contains 30k sentences, 416k words, a vocabulary of 18k words, in a total of 104 hours. This is the largest continuous sign language dataset published to date in terms of video duration. We also describe a system that can evolve and expand the dataset to incorporate better data processing techniques and more contents when available. It is our hope that the release of this ASL dataset and the sustainable dataset generation system to the public will propel better deep-learning research in ASL natural language processing.

Devising a fair classifier that does not discriminate against different groups is an important problem in machine learning. Although researchers have proposed various ways of defining group fairness, most of them only focused on the immediate fairness, ignoring the long-term impact of a fair classifier under the dynamic scenario where each individual can improve its feature over time. Such dynamic scenarios happen in real world, e.g., college admission and credit loaning, where each rejected sample makes effort to change its features to get accepted afterwards. In this dynamic setting, the long-term fairness should equalize the samples' feature distribution across different groups after the rejected samples make some effort to improve. In order to promote long-term fairness, we propose a new fairness notion called Equal Improvability (EI), which equalizes the potential acceptance rate of the rejected samples across different groups assuming a bounded level of effort will be spent by each rejected sample. We analyze the properties of EI and its connections with existing fairness notions. To find a classifier that satisfies the EI requirement, we propose and study three different approaches that solve EI-regularized optimization problems. Through experiments on both synthetic and real datasets, we demonstrate that the proposed EI-regularized algorithms encourage us to find a fair classifier in terms of EI. Finally, we provide experimental results on dynamic scenarios which highlight the advantages of our EI metric in achieving the long-term fairness. Codes are available in a GitHub repository, see https://github.com/guldoganozgur/ei_fairness.

An interesting case of the well-known Dataset Shift Problem is the classification of Electroencephalogram (EEG) signals in the context of Brain-Computer Interface (BCI). The non-stationarity of EEG signals can lead to poor generalisation performance in BCI classification systems used in different sessions, also from the same subject. In this paper, we start from the hypothesis that the Dataset Shift problem can be alleviated by exploiting suitable eXplainable Artificial Intelligence (XAI) methods to locate and transform the relevant characteristics of the input for the goal of classification. In particular, we focus on an experimental analysis of explanations produced by several XAI methods on an ML system trained on a typical EEG dataset for emotion recognition. Results show that many relevant components found by XAI methods are shared across the sessions and can be used to build a system able to generalise better. However, relevant components of the input signal also appear to be highly dependent on the input itself.

We propose an AI-based pilot trainer to help students learn how to fly aircraft. First, an AI agent uses behavioral cloning to learn flying maneuvers from qualified flight instructors. Later, the system uses the agent's decisions to detect errors made by students and provide feedback to help students correct their errors. This paper presents an instantiation of the pilot trainer. We focus on teaching straight and level flying maneuvers by automatically providing formative feedback to the human student.

Visual data such as images and videos are typically modeled as discretizations of inherently continuous, multidimensional signals. Existing continuous-signal models attempt to exploit this fact by modeling the underlying signals of visual (e.g., image) data directly. However, these models have not yet been able to achieve competitive performance on practical vision tasks such as large-scale image and video classification. Building on a recent line of work on deep state space models (SSMs), we propose \method, a new multidimensional SSM layer that extends the continuous-signal modeling ability of SSMs to multidimensional data including images and videos. We show that S4ND can model large-scale visual data in $1$D, $2$D, and $3$D as continuous multidimensional signals and demonstrates strong performance by simply swapping Conv2D and self-attention layers with \method\ layers in existing state-of-the-art models. On ImageNet-1k, \method\ exceeds the performance of a Vision Transformer baseline by $1.5\%$ when training with a $1$D sequence of patches, and matches ConvNeXt when modeling images in $2$D. For videos, S4ND improves on an inflated $3$D ConvNeXt in activity classification on HMDB-51 by $4\%$. S4ND implicitly learns global, continuous convolutional kernels that are resolution invariant by construction, providing an inductive bias that enables generalization across multiple resolutions. By developing a simple bandlimiting modification to S4 to overcome aliasing, S4ND achieves strong zero-shot (unseen at training time) resolution performance, outperforming a baseline Conv2D by $40\%$ on CIFAR-10 when trained on $8 \times 8$ and tested on $32 \times 32$ images. When trained with progressive resizing, S4ND comes within $\sim 1\%$ of a high-resolution model while training $22\%$ faster.

We prove closed-form equations for the exact high-dimensional asymptotics of a family of first order gradient-based methods, learning an estimator (e.g. M-estimator, shallow neural network, ...) from observations on Gaussian data with empirical risk minimization. This includes widely used algorithms such as stochastic gradient descent (SGD) or Nesterov acceleration. The obtained equations match those resulting from the discretization of dynamical mean-field theory (DMFT) equations from statistical physics when applied to gradient flow. Our proof method allows us to give an explicit description of how memory kernels build up in the effective dynamics, and to include non-separable update functions, allowing datasets with non-identity covariance matrices. Finally, we provide numerical implementations of the equations for SGD with generic extensive batch-size and with constant learning rates.

We focus on the setting of contextual batched bandit (CBB), where a batch of rewards is observed from the environment in each episode. But the rewards of the non-executed actions are unobserved (i.e., partial-information feedbacks). Existing approaches for CBB usually ignore the rewards of the non-executed actions, resulting in feedback information being underutilized. In this paper, we propose an efficient reward imputation approach using sketching for CBB, which completes the unobserved rewards with the imputed rewards approximating the full-information feedbacks. Specifically, we formulate the reward imputation as a problem of imputation regularized ridge regression, which captures the feedback mechanisms of both the non-executed and executed actions. To reduce the time complexity of reward imputation, we solve the regression problem using randomized sketching. We prove that our reward imputation approach obtains a relative-error bound for sketching approximation, achieves an instantaneous regret with a controllable bias and a smaller variance than that without reward imputation, and enjoys a sublinear regret bound against the optimal policy. Moreover, we present two extensions of our approach, including the rate-scheduled version and the version for nonlinear rewards, making our approach more feasible. Experimental results demonstrated that our approach can outperform the state-of-the-art baselines on synthetic and real-world datasets.

We introduce a general stochastic optimization framework to obtain optimal convergence (virtual) bid curves. Within this framework, we develop a computationally tractable linear programming-based optimization model, which produces bid prices and volumes simultaneously. We also show that different approximations and simplifications in the general model lead naturally to well-known convergence bidding approaches, such as self-scheduling and opportunistic approaches.

Closed-form differential equations, including partial differential equations and higher-order ordinary differential equations, are one of the most important tools used by scientists to model and better understand natural phenomena. Discovering these equations directly from data is challenging because it requires modeling relationships between various derivatives that are not observed in the data (equation-data mismatch) and it involves searching across a huge space of possible equations. Current approaches make strong assumptions about the form of the equation and thus fail to discover many well-known systems. Moreover, many of them resolve the equation-data mismatch by estimating the derivatives, which makes them inadequate for noisy and infrequently sampled systems. To this end, we propose D-CIPHER, which is robust to measurement artifacts and can uncover a new and very general class of differential equations. We further design a novel optimization procedure, CoLLie, to help D-CIPHER search through this class efficiently. Finally, we demonstrate empirically that it can discover many well-known equations that are beyond the capabilities of current methods.

Learning from non-stationary data streams, also called Task-Free Continual Learning (TFCL) remains challenging due to the absence of explicit task information. Although recently some methods have been proposed for TFCL, they lack theoretical guarantees. Moreover, forgetting analysis during TFCL was not studied theoretically before. This paper develops a new theoretical analysis framework which provides generalization bounds based on the discrepancy distance between the visited samples and the entire information made available for training the model. This analysis gives new insights into the forgetting behaviour in classification tasks. Inspired by this theoretical model, we propose a new approach enabled by the dynamic component expansion mechanism for a mixture model, namely the Online Discrepancy Distance Learning (ODDL). ODDL estimates the discrepancy between the probabilistic representation of the current memory buffer and the already accumulated knowledge and uses it as the expansion signal to ensure a compact network architecture with optimal performance. We then propose a new sample selection approach that selectively stores the most relevant samples into the memory buffer through the discrepancy-based measure, further improving the performance. We perform several TFCL experiments with the proposed methodology, which demonstrate that the proposed approach achieves the state of the art performance.

A popular way to plan trajectories in dynamic urban scenarios for Autonomous Vehicles is to rely on explicitly specified and hand crafted cost functions, coupled with random sampling in the trajectory space to find the minimum cost trajectory. Such methods require a high number of samples to find a low-cost trajectory and might end up with a highly suboptimal trajectory given the planning time budget. We explore the application of normalizing flows for improving the performance of trajectory planning for autonomous vehicles (AVs). Our key insight is to learn a sampling policy in a low-dimensional latent space of expert-like trajectories, out of which the best sample is selected for execution. By modeling the trajectory planner's cost manifold as an energy function, we learn a scene conditioned mapping from the prior to a Boltzmann distribution over the AV control space. Finally, we demonstrate the effectiveness of our approach on real-world datasets over IL and hand-constructed trajectory sampling techniques.

Massive multiple input multiple output (MIMO) systems are typically designed under the assumption of linear power amplifiers (PAs). However, PAs are typically most energy-efficient when operating close to their saturation point, where they cause non-linear distortion. Moreover, when using conventional precoders, this distortion coherently combines at the user locations, limiting performance. As such, when designing an energy-efficient massive MIMO system, this distortion has to be managed. In this work, we propose the use of a neural network (NN) to learn the mapping between the channel matrix and the precoding matrix, which maximizes the sum rate in the presence of this non-linear distortion. This is done for a third-order polynomial PA model for both the single and multi-user case. By learning this mapping a significant increase in energy efficiency is achieved as compared to conventional precoders and even as compared to perfect digital pre-distortion (DPD), in the saturation regime.

Given the volume of data needed to train modern machine learning models, external suppliers are increasingly used. However, incorporating external data poses data poisoning risks, wherein attackers manipulate their data to degrade model utility or integrity. Most poisoning defenses presume access to a set of clean data (or base set). While this assumption has been taken for granted, given the fast-growing research on stealthy poisoning attacks, a question arises: can defenders really identify a clean subset within a contaminated dataset to support defenses? This paper starts by examining the impact of poisoned samples on defenses when they are mistakenly mixed into the base set. We analyze five defenses and find that their performance deteriorates dramatically with less than 1% poisoned points in the base set. These findings suggest that sifting out a base set with high precision is key to these defenses' performance. Motivated by these observations, we study how precise existing automated tools and human inspection are at identifying clean data in the presence of data poisoning. Unfortunately, neither effort achieves the precision needed. Worse yet, many of the outcomes are worse than random selection. In addition to uncovering the challenge, we propose a practical countermeasure, Meta-Sift. Our method is based on the insight that existing attacks' poisoned samples shifts from clean data distributions. Hence, training on the clean portion of a dataset and testing on the corrupted portion will result in high prediction loss. Leveraging the insight, we formulate a bilevel optimization to identify clean data and further introduce a suite of techniques to improve efficiency and precision. Our evaluation shows that Meta-Sift can sift a clean base set with 100% precision under a wide range of poisoning attacks. The selected base set is large enough to give rise to successful defenses.  ( 3 min )

We pose that microscopy offers an ideal real-world experimental environment for the development and deployment of active Bayesian and reinforcement learning methods. Indeed, the tremendous progress achieved by machine learning (ML) and artificial intelligence over the last decade has been largely achieved via the utilization of static data sets, from the paradigmatic MNIST to the bespoke corpora of text and image data used to train large models such as GPT3, DALLE and others. However, it is now recognized that continuous, minute improvements to state-of-the-art do not necessarily translate to advances in real-world applications. We argue that a promising pathway for the development of ML methods is via the route of domain-specific deployable algorithms in areas such as electron and scanning probe microscopy and chemical imaging. This will benefit both fundamental physical studies and serve as a test bed for more complex autonomous systems such as robotics and manufacturing. Favorable environment characteristics of scanning and electron microscopy include low risk, extensive availability of domain-specific priors and rewards, relatively small effects of exogeneous variables, and often the presence of both upstream first principles as well as downstream learnable physical models for both statics and dynamics. Recent developments in programmable interfaces, edge computing, and access to APIs facilitating microscope control, all render the deployment of ML codes on operational microscopes straightforward. We discuss these considerations and hope that these arguments will lead to creating a novel set of development targets for the ML community by accelerating both real-world ML applications and scientific progress.  ( 3 min )

The framework of Language Games studies the emergence of languages in populations of agents. Recent contributions relying on deep learning methods focused on agents communicating via an idealized communication channel, where utterances produced by a speaker are directly perceived by a listener. This comes in contrast with human communication, which instead relies on a sensory-motor channel, where motor commands produced by the speaker (e.g. vocal or gestural articulators) result in sensory effects perceived by the listener (e.g. audio or visual). Here, we investigate if agents can evolve a shared language when they are equipped with a continuous sensory-motor system to produce and perceive signs, e.g. drawings. To this end, we introduce the Graphical Referential Game (GREG) where a speaker must produce a graphical utterance to name a visual referent object consisting of combinations of MNIST digits while a listener has to select the corresponding object among distractor referents, given the produced message. The utterances are drawing images produced using dynamical motor primitives combined with a sketching library. To tackle GREG we present CURVES: a multimodal contrastive deep learning mechanism that represents the energy (alignment) between named referents and utterances generated through gradient ascent on the learned energy landscape. We, then, present a set of experiments and metrics based on a systematic compositional dataset to evaluate the resulting language. We show that our method allows the emergence of a shared, graphical language with compositional properties.  ( 3 min )

Given a convex function $f\colon\mathbb{R}^{d}\to\mathbb{R}$, the problem of sampling from a distribution $\propto e^{-f(x)}$ is called log-concave sampling. This task has wide applications in machine learning, physics, statistics, etc. In this work, we develop quantum algorithms for sampling log-concave distributions and for estimating their normalizing constants $\int_{\mathbb{R}^d}e^{-f(x)}\mathrm{d} x$. First, we use underdamped Langevin diffusion to develop quantum algorithms that match the query complexity (in terms of the condition number $\kappa$ and dimension $d$) of analogous classical algorithms that use gradient (first-order) queries, even though the quantum algorithms use only evaluation (zeroth-order) queries. For estimating normalizing constants, these algorithms also achieve quadratic speedup in the multiplicative error $\epsilon$. Second, we develop quantum Metropolis-adjusted Langevin algorithms with query complexity $\widetilde{O}(\kappa^{1/2}d)$ and $\widetilde{O}(\kappa^{1/2}d^{3/2}/\epsilon)$ for log-concave sampling and normalizing constant estimation, respectively, achieving polynomial speedups in $\kappa,d,\epsilon$ over the best known classical algorithms by exploiting quantum analogs of the Monte Carlo method and quantum walks. We also prove a $1/\epsilon^{1-o(1)}$ quantum lower bound for estimating normalizing constants, implying near-optimality of our quantum algorithms in $\epsilon$.  ( 2 min )

Offline reinforcement learning (ORL) holds great promise for robot learning due to its ability to learn from arbitrary pre-generated experience. However, current ORL benchmarks are almost entirely in simulation and utilize contrived datasets like replay buffers of online RL agents or sub-optimal trajectories, and thus hold limited relevance for real-world robotics. In this work (Real-ORL), we posit that data collected from safe operations of closely related tasks are more practical data sources for real-world robot learning. Under these settings, we perform an extensive (6500+ trajectories collected over 800+ robot hours and 270+ human labor hour) empirical study evaluating generalization and transfer capabilities of representative ORL methods on four real-world tabletop manipulation tasks. Our study finds that ORL and imitation learning prefer different action spaces, and that ORL algorithms can generalize from leveraging offline heterogeneous data sources and outperform imitation learning. We release our dataset and implementations at URL: https://sites.google.com/view/real-orl  ( 2 min )

Recent work has established that the conditional mutual information (CMI) framework of Steinke and Zakynthinou (2020) is expressive enough to capture generalization guarantees in terms of algorithmic stability, VC dimension, and related complexity measures for conventional learning (Harutyunyan et al., 2021, Haghifam et al., 2021). Hence, it provides a unified method for establishing generalization bounds. In meta learning, there has so far been a divide between information-theoretic results and results from classical learning theory. In this work, we take a first step toward bridging this divide. Specifically, we present novel generalization bounds for meta learning in terms of the evaluated CMI (e-CMI). To demonstrate the expressiveness of the e-CMI framework, we apply our bounds to a representation learning setting, with $n$ samples from $\hat n$ tasks parameterized by functions of the form $f_i \circ h$. Here, each $f_i \in \mathcal F$ is a task-specific function, and $h \in \mathcal H$ is the shared representation. For this setup, we show that the e-CMI framework yields a bound that scales as $\sqrt{ \mathcal C(\mathcal H)/(n\hat n) + \mathcal C(\mathcal F)/n} $, where $\mathcal C(\cdot)$ denotes a complexity measure of the hypothesis class. This scaling behavior coincides with the one reported in Tripuraneni et al. (2020) using Gaussian complexity.  ( 3 min )

We introduce equi-tuning, a novel fine-tuning method that transforms (potentially non-equivariant) pretrained models into group equivariant models while incurring minimum $L_2$ loss between the feature representations of the pretrained and the equivariant models. Large pretrained models can be equi-tuned for different groups to satisfy the needs of various downstream tasks. Equi-tuned models benefit from both group equivariance as an inductive bias and semantic priors from pretrained models. We provide applications of equi-tuning on three different tasks: image classification, compositional generalization in language, and fairness in natural language generation (NLG). We also provide a novel group-theoretic definition for fairness in NLG. The effectiveness of this definition is shown by testing it against a standard empirical method of fairness in NLG. We provide experimental results for equi-tuning using a variety of pretrained models: Alexnet, Resnet, VGG, and Densenet for image classification; RNNs, GRUs, and LSTMs for compositional generalization; and GPT2 for fairness in NLG. We test these models on benchmark datasets across all considered tasks to show the generality and effectiveness of the proposed method.  ( 2 min )

3D microstructural datasets are commonly used to define the geometrical domains used in finite element modelling. This has proven a useful tool for understanding how complex material systems behave under applied stresses, temperatures and chemical conditions. However, 3D imaging of materials is challenging for a number of reasons, including limited field of view, low resolution and difficult sample preparation. Recently, a machine learning method, SliceGAN, was developed to statistically generate 3D microstructural datasets of arbitrary size using a single 2D input slice as training data. In this paper, we present the results from applying SliceGAN to 87 different microstructures, ranging from biological materials to high-strength steels. To demonstrate the accuracy of the synthetic volumes created by SliceGAN, we compare three microstructural properties between the 2D training data and 3D generations, which show good agreement. This new microstructure library both provides valuable 3D microstructures that can be used in models, and also demonstrates the broad applicability of the SliceGAN algorithm.  ( 2 min )

Comparing the representations learned by different neural networks has recently emerged as a key tool to understand various architectures and ultimately optimize them. In this work, we introduce GULP, a family of distance measures between representations that is explicitly motivated by downstream predictive tasks. By construction, GULP provides uniform control over the difference in prediction performance between two representations, with respect to regularized linear prediction tasks. Moreover, it satisfies several desirable structural properties, such as the triangle inequality and invariance under orthogonal transformations, and thus lends itself to data embedding and visualization. We extensively evaluate GULP relative to other methods, and demonstrate that it correctly differentiates between architecture families, converges over the course of training, and captures generalization performance on downstream linear tasks.  ( 2 min )

In this paper, we investigate the problem of including relevant information as context in open-domain dialogue systems. Most models struggle to identify and incorporate important knowledge from dialogues and simply use the entire turns as context, which increases the size of the input fed to the model with unnecessary information. Additionally, due to the input size limitation of a few hundred tokens of large pre-trained models, regions of the history are not included and informative parts from the dialogue may be omitted. In order to surpass this problem, we introduce a simple method that substitutes part of the context with a summary instead of the whole history, which increases the ability of models to keep track of all the previous relevant information. We show that the inclusion of a summary may improve the answer generation task and discuss some examples to further understand the system's weaknesses.  ( 2 min )

For generative autoencoders to learn a meaningful latent representation for data generation, a careful balance must be achieved between reconstruction error and how close the distribution in the latent space is to the prior. However, this balance is challenging to achieve due to a lack of criteria that work both at the mini-batch (local) and aggregated posterior (global) level. Goodness of fit (GoF) hypothesis tests provide a measure of statistical indistinguishability between the latent distribution and a target distribution class. In this work, we develop the Goodness of Fit Autoencoder (GoFAE), which incorporates hypothesis tests at two levels. At the mini-batch level, it uses GoF test statistics as regularization objectives. At a more global level, it selects a regularization coefficient based on higher criticism, i.e., a test on the uniformity of the local GoF p-values. We justify the use of GoF tests by providing a relaxed $L_2$-Wasserstein bound on the distance between the latent distribution and target prior. We propose to use GoF tests and prove that optimization based on these tests can be done with stochastic gradient (SGD) descent on a compact Riemannian manifold. Empirically, we show that our higher criticism parameter selection procedure balances reconstruction and generation using mutual information and uniformity of p-values respectively. Finally, we show that GoFAE achieves comparable FID scores and mean squared errors with competing deep generative models while retaining statistical indistinguishability from Gaussian in the latent space based on a variety of hypothesis tests.  ( 3 min )

We propose a general purpose Bayesian inference algorithm for expensive likelihoods, replacing the stochastic term in the Langevin equation with a deterministic density gradient term. The particle density is evaluated from the current particle positions using a Normalizing Flow (NF), which is differentiable and has good generalization properties in high dimensions. We take advantage of NF preconditioning and NF based Metropolis-Hastings updates for a faster convergence. We show on various examples that the method is competitive against state of the art sampling methods.  ( 2 min )

Inverse Reinforcement Learning (IRL) is a powerful paradigm for inferring a reward function from expert demonstrations. Many IRL algorithms require a known transition model and sometimes even a known expert policy, or they at least require access to a generative model. However, these assumptions are too strong for many real-world applications, where the environment can be accessed only through sequential interaction. We propose a novel IRL algorithm: Active exploration for Inverse Reinforcement Learning (AceIRL), which actively explores an unknown environment and expert policy to quickly learn the expert's reward function and identify a good policy. AceIRL uses previous observations to construct confidence intervals that capture plausible reward functions and find exploration policies that focus on the most informative regions of the environment. AceIRL is the first approach to active IRL with sample-complexity bounds that does not require a generative model of the environment. AceIRL matches the sample complexity of active IRL with a generative model in the worst case. Additionally, we establish a problem-dependent bound that relates the sample complexity of AceIRL to the suboptimality gap of a given IRL problem. We empirically evaluate AceIRL in simulations and find that it significantly outperforms more naive exploration strategies.  ( 3 min )

Many high-dimensional statistical inference problems are believed to possess inherent computational hardness. Various frameworks have been proposed to give rigorous evidence for such hardness, including lower bounds against restricted models of computation (such as low-degree functions), as well as methods rooted in statistical physics that are based on free energy landscapes. This paper aims to make a rigorous connection between the seemingly different low-degree and free-energy based approaches. We define a free-energy based criterion for hardness and formally connect it to the well-established notion of low-degree hardness for a broad class of statistical problems, namely all Gaussian additive models and certain models with a sparse planted signal. By leveraging these rigorous connections we are able to: establish that for Gaussian additive models the "algebraic" notion of low-degree hardness implies failure of "geometric" local MCMC algorithms, and provide new low-degree lower bounds for sparse linear regression which seem difficult to prove directly. These results provide both conceptual insights into the connections between different notions of hardness, as well as concrete technical tools such as new methods for proving low-degree lower bounds.  ( 3 min )

Most PAC-Bayesian bounds hold in the batch learning setting where data is collected at once, prior to inference or prediction. This somewhat departs from many contemporary learning problems where data streams are collected and the algorithms must dynamically adjust. We prove new PAC-Bayesian bounds in this online learning framework, leveraging an updated definition of regret, and we revisit classical PAC-Bayesian results with a batch-to-online conversion, extending their remit to the case of dependent data. Our results hold for bounded losses, potentially \emph{non-convex}, paving the way to promising developments in online learning.  ( 2 min )

In this paper, we study the combinatorial semi-bandits (CMAB) and focus on reducing the dependency of the batch-size $K$ in the regret bound, where $K$ is the total number of arms that can be pulled or triggered in each round. First, for the setting of CMAB with probabilistically triggered arms (CMAB-T), we discover a novel (directional) triggering probability and variance modulated (TPVM) condition that can replace the previously-used smoothness condition for various applications, such as cascading bandits, online network exploration and online influence maximization. Under this new condition, we propose a BCUCB-T algorithm with variance-aware confidence intervals and conduct regret analysis which reduces the $O(K)$ factor to $O(\log K)$ or $O(\log^2 K)$ in the regret bound, significantly improving the regret bounds for the above applications. Second, for the setting of non-triggering CMAB with independent arms, we propose a SESCB algorithm which leverages on the non-triggering version of the TPVM condition and completely removes the dependency on $K$ in the leading regret. As a valuable by-product, the regret analysis used in this paper can improve several existing results by a factor of $O(\log K)$. Finally, experimental evaluations show our superior performance compared with benchmark algorithms in different applications.  ( 3 min )

This paper proposes a new neural network architecture by introducing an additional dimension called height beyond width and depth. Neural network architectures with height, width, and depth as hyper-parameters are called three-dimensional architectures. It is shown that neural networks with three-dimensional architectures are significantly more expressive than the ones with two-dimensional architectures (those with only width and depth as hyper-parameters), e.g., standard fully connected networks. The new network architecture is constructed recursively via a nested structure, and hence we call a network with the new architecture nested network (NestNet). A NestNet of height $s$ is built with each hidden neuron activated by a NestNet of height $\le s-1$. When $s=1$, a NestNet degenerates to a standard network with a two-dimensional architecture. It is proved by construction that height-$s$ ReLU NestNets with $\mathcal{O}(n)$ parameters can approximate $1$-Lipschitz continuous functions on $[0,1]^d$ with an error $\mathcal{O}(n^{-(s+1)/d})$, while the optimal approximation error of standard ReLU networks with $\mathcal{O}(n)$ parameters is $\mathcal{O}(n^{-2/d})$. Furthermore, such a result is extended to generic continuous functions on $[0,1]^d$ with the approximation error characterized by the modulus of continuity. Finally, we use numerical experimentation to show the advantages of the super-approximation power of ReLU NestNets.  ( 2 min )

This paper shows that gradient boosting based on symmetric decision trees can be equivalently reformulated as a kernel method that converges to the solution of a certain Kernel Ridge Regression problem. Thus, we obtain the convergence to a Gaussian Process' posterior mean, which, in turn, allows us to easily transform gradient boosting into a sampler from the posterior to provide better knowledge uncertainty estimates through Monte-Carlo estimation of the posterior variance. We show that the proposed sampler allows for better knowledge uncertainty estimates leading to improved out-of-domain detection.  ( 2 min )

Neural Networks are known to be sensitive to initialisation. The methods that rely on neural networks for feature ranking are not robust since they can have variations in their ranking when the model is initialized and trained with different random seeds. In this work, we introduce a novel method based on parameter averaging to estimate accurate and robust feature importance in tabular data setting, referred as XTab. We first initialize and train multiple instances of a shallow network (referred as local masks) with "different random seeds" for a downstream task. We then obtain a global mask model by "averaging the parameters" of local masks. We show that although the parameter averaging might result in a global model with higher loss, it still leads to the discovery of the ground-truth feature importance more consistently than an individual model does. We conduct extensive experiments on a variety of synthetic and real-world data, demonstrating that the XTab can be used to obtain the global feature importance that is not sensitive to sub-optimal model initialisation.  ( 2 min )

Ensembling neural networks is an effective way to increase accuracy, and can often match the performance of individual larger models. This observation poses a natural question: given the choice between a deep ensemble and a single neural network with similar accuracy, is one preferable over the other? Recent work suggests that deep ensembles may offer distinct benefits beyond predictive power: namely, uncertainty quantification and robustness to dataset shift. In this work, we demonstrate limitations to these purported benefits, and show that a single (but larger) neural network can replicate these qualities. First, we show that ensemble diversity, by any metric, does not meaningfully contribute to an ensemble's uncertainty quantification on out-of-distribution (OOD) data, but is instead highly correlated with the relative improvement of a single larger model. Second, we show that the OOD performance afforded by ensembles is strongly determined by their in-distribution (InD) performance, and -- in this sense -- is not indicative of any "effective robustness". While deep ensembles are a practical way to achieve improvements to predictive power, uncertainty quantification, and robustness, our results show that these improvements can be replicated by a (larger) single model.  ( 2 min )

While parallelism has been extensively used in Reinforcement Learning (RL), the quantitative effects of parallel exploration are not well understood theoretically. We study the benefits of simple parallel exploration for reward-free RL in linear Markov decision processes (MDPs) and two-player zero-sum Markov games (MGs). In contrast to the existing literature focused on approaches that encourage agents to explore over a diverse set of policies, we show that using a single policy to guide exploration across all agents is sufficient to obtain an almost-linear speedup in all cases compared to their fully sequential counterpart. Further, we show that this simple procedure is near-minimax optimal in the reward-free setting for linear MDPs. From a practical perspective, our paper shows that a single policy is sufficient and provably near-optimal for incorporating parallelism during the exploration phase.  ( 2 min )

Given a nonnegative matrix factorization, $R$, and a factorization rank, $r$, Exact nonnegative matrix factorization (Exact NMF) decomposes $R$ as the product of two nonnegative matrices, $C$ and $S$ with $r$ columns, such as $R = CS^\top$. A central research topic in the literature is the conditions under which such a decomposition is unique/identifiable, up to trivial ambiguities. In this paper, we focus on partial identifiability, that is, the uniqueness of a subset of columns of $C$ and $S$. We start our investigations with the data-based uniqueness (DBU) theorem from the chemometrics literature. The DBU theorem analyzes all feasible solutions of Exact NMF, and relies on sparsity conditions on $C$ and $S$. We provide a mathematically rigorous theorem of a recently published restricted version of the DBU theorem, relying only on simple sparsity and algebraic conditions: it applies to a particular solution of Exact NMF (as opposed to all feasible solutions) and allows us to guarantee the partial uniqueness of a single column of $C$ or $S$. Second, based on a geometric interpretation of the restricted DBU theorem, we obtain a new partial identifiability result. This geometric interpretation also leads us to another partial identifiability result in the case $r=3$. Third, we show how partial identifiability results can be used sequentially to guarantee the identifiability of more columns of $C$ and $S$. We illustrate these results on several examples, including one from the chemometrics literature.  ( 3 min )

Neural networks have shown great predictive power when dealing with various unstructured data such as images and natural languages. The Bayesian neural network captures the uncertainty of prediction by putting a prior distribution for the parameter of the model and computing the posterior distribution. In this paper, we show that the Bayesian neural network using spike-and-slab prior has consistency with nearly minimax convergence rate when the true regression function is in the Besov space. Even when the smoothness of the regression function is unknown the same posterior convergence rate holds and thus the spike-and-slab prior is adaptive to the smoothness of the regression function. We also consider the shrinkage prior, which is more feasible than other priors, and show that it has the same convergence rate. In other words, we propose a practical Bayesian neural network with guaranteed asymptotic properties.  ( 2 min )

Deep matrix factorizations (deep MFs) are recent unsupervised data mining techniques inspired by constrained low-rank approximations. They aim to extract complex hierarchies of features within high-dimensional datasets. Most of the loss functions proposed in the literature to evaluate the quality of deep MF models and the underlying optimization frameworks are not consistent because different losses are used at different layers. In this paper, we introduce two meaningful loss functions for deep MF and present a generic framework to solve the corresponding optimization problems. We illustrate the effectiveness of this approach through the integration of various constraints and regularizations, such as sparsity, nonnegativity and minimum-volume. The models are successfully applied on both synthetic and real data, namely for hyperspectral unmixing and extraction of facial features.  ( 2 min )

Contextual bandit algorithms have been recently studied under the federated learning setting to satisfy the demand of keeping data decentralized and pushing the learning of bandit models to the client side. But limited by the required communication efficiency, existing solutions are restricted to linear models to exploit their closed-form solutions for parameter estimation. Such a restricted model choice greatly hampers these algorithms' practical utility. In this paper, we take the first step to addressing this challenge by studying generalized linear bandit models under the federated learning setting. We propose a communication-efficient solution framework that employs online regression for local update and offline regression for global update. We rigorously proved, though the setting is more general and challenging, our algorithm can attain sub-linear rate in both regret and communication cost, which is also validated by our extensive empirical evaluations.  ( 2 min )

Linear systems occur throughout engineering and the sciences, most notably as differential equations. In many cases the forcing function for the system is unknown, and interest lies in using noisy observations of the system to infer the forcing, as well as other unknown parameters. In differential equations, the forcing function is an unknown function of the independent variables (typically time and space), and can be modelled as a Gaussian process (GP). In this paper we show how the adjoint of a linear system can be used to efficiently infer forcing functions modelled as GPs, using a truncated basis expansion of the GP kernel. We show how exact conjugate Bayesian inference for the truncated GP can be achieved, in many cases with substantially lower computation than would be required using MCMC methods. We demonstrate the approach on systems of both ordinary and partial differential equations, and show that the basis expansion approach approximates well the true forcing with a modest number of basis vectors. Finally, we show how to infer point estimates for the non-linear model parameters, such as the kernel length-scales, using Bayesian optimisation.  ( 3 min )

Uncertainty quantification has received increasing attention in machine learning in the recent past. In particular, a distinction between aleatoric and epistemic uncertainty has been found useful in this regard. The latter refers to the learner's (lack of) knowledge and appears to be especially difficult to measure and quantify. In this paper, we analyse a recent proposal based on the idea of a second-order learner, which yields predictions in the form of distributions over probability distributions. While standard (first-order) learners can be trained to predict accurate probabilities, namely by minimising suitable loss functions on sample data, we show that loss minimisation does not work for second-order predictors: The loss functions proposed for inducing such predictors do not incentivise the learner to represent its epistemic uncertainty in a faithful way.  ( 2 min )

This paper presents a fast algorithm for estimating hidden states of Bayesian state space models. The algorithm is a variation of amortized simulation-based inference algorithms, where a large number of artificial datasets are generated at the first stage, and then a flexible model is trained to predict the variables of interest. In contrast to those proposed earlier, the procedure described in this paper makes it possible to train estimators for hidden states by concentrating only on certain characteristics of the marginal posterior distributions and introducing inductive bias. Illustrations using the examples of the stochastic volatility model, nonlinear dynamic stochastic general equilibrium model, and seasonal adjustment procedure with breaks in seasonality show that the algorithm has sufficient accuracy for practical use. Moreover, after pretraining, which takes several hours, finding the posterior distribution for any dataset takes from hundredths to tenths of a second.  ( 2 min )

Despite their theoretical appealingness, Bayesian neural networks (BNNs) are left behind in real-world adoption, mainly due to persistent concerns on their scalability, accessibility, and reliability. In this work, we develop the BayesAdapter framework to relieve these concerns. In particular, we propose to adapt pre-trained deterministic NNs to be variational BNNs via cost-effective Bayesian fine-tuning. Technically, we develop a modularized implementation for the learning of variational BNNs, and refurbish the generally applicable exemplar reparameterization trick through exemplar parallelization to efficiently reduce the gradient variance in stochastic variational inference. Based on the lightweight Bayesian learning paradigm, we conduct extensive experiments on a variety of benchmarks, and show that our method can consistently induce posteriors with higher quality than competitive baselines, yet significantly reducing training overheads. Code is available at https://github.com/thudzj/ScalableBDL.  ( 2 min )

We consider offline reinforcement learning (RL) methods in possibly nonstationary environments. Many existing RL algorithms in the literature rely on the stationarity assumption that requires the system transition and the reward function to be constant over time. However, the stationarity assumption is restrictive in practice and is likely to be violated in a number of applications, including traffic signal control, robotics and mobile health. In this paper, we develop a consistent procedure to test the nonstationarity of the optimal policy based on pre-collected historical data, without additional online data collection. Based on the proposed test, we further develop a sequential change point detection method that can be naturally coupled with existing state-of-the-art RL methods for policy optimization in nonstationary environments. The usefulness of our method is illustrated by theoretical results, simulation studies, and a real data example from the 2018 Intern Health Study. A Python implementation of the proposed procedure is available at https://github.com/limengbinggz/CUSUM-RL.  ( 2 min )

In distributed training of deep neural networks, people usually run Stochastic Gradient Descent (SGD) or its variants on each machine and communicate with other machines periodically. However, SGD might converge slowly in training some deep neural networks (e.g., RNN, LSTM) because of the exploding gradient issue. Gradient clipping is usually employed to address this issue in the single machine setting, but exploring this technique in the distributed setting is still in its infancy: it remains mysterious whether the gradient clipping scheme can take advantage of multiple machines to enjoy parallel speedup. The main technical difficulty lies in dealing with nonconvex loss function, non-Lipschitz continuous gradient, and skipping communication rounds simultaneously. In this paper, we explore a relaxed-smoothness assumption of the loss landscape which LSTM was shown to satisfy in previous works, and design a communication-efficient gradient clipping algorithm. This algorithm can be run on multiple machines, where each machine employs a gradient clipping scheme and communicate with other machines after multiple steps of gradient-based updates. Our algorithm is proved to have $O\left(\frac{1}{N\epsilon^4}\right)$ iteration complexity and $O(\frac{1}{\epsilon^3})$ communication complexity for finding an $\epsilon$-stationary point in the homogeneous data setting, where $N$ is the number of machines. This indicates that our algorithm enjoys linear speedup and reduced communication rounds. Our proof relies on novel analysis techniques of estimating truncated random variables, which we believe are of independent interest. Our experiments on several benchmark datasets and various scenarios demonstrate that our algorithm indeed exhibits fast convergence speed in practice and thus validates our theory.  ( 3 min )

Data augmentation is commonly applied to improve performance of deep learning by enforcing the knowledge that certain transformations on the input preserve the output. Currently, the data augmentation parameters are chosen by human effort and costly cross-validation, which makes it cumbersome to apply to new datasets. We develop a convenient gradient-based method for selecting the data augmentation without validation data during training of a deep neural network. Our approach relies on phrasing data augmentation as an invariance in the prior distribution on the functions of a neural network, which allows us to learn it using Bayesian model selection. This has been shown to work in Gaussian processes, but not yet for deep neural networks. We propose a differentiable Kronecker-factored Laplace approximation to the marginal likelihood as our objective, which can be optimised without human supervision or validation data. We show that our method can successfully recover invariances present in the data, and that this improves generalisation and data efficiency on image datasets.  ( 2 min )

We consider a contextual bandit problem with a combinatorial action set and time-varying base arm availability. At the beginning of each round, the agent observes the set of available base arms and their contexts and then selects an action that is a feasible subset of the set of available base arms to maximize its cumulative reward in the long run. We assume that the mean outcomes of base arms are samples from a Gaussian Process (GP) indexed by the context set ${\cal X}$, and the expected reward is Lipschitz continuous in expected base arm outcomes. For this setup, we propose an algorithm called Optimistic Combinatorial Learning and Optimization with Kernel Upper Confidence Bounds (O'CLOK-UCB) and prove that it incurs $\tilde{O}(\sqrt{\lambda^*(K)KT\overline{\gamma}_{T}} )$ regret with high probability, where $\overline{\gamma}_{T}$ is the maximum information gain associated with the set of base arm contexts that appeared in the first $T$ rounds, $K$ is the maximum cardinality of any feasible action over all rounds and $\lambda^*(K)$ is the maximum eigenvalue of all covariance matrices of selected actions up to time $T$, which is a function of $K$. To dramatically speed up the algorithm, we also propose a variant of O'CLOK-UCB that uses sparse GPs. Finally, we experimentally show that both algorithms exploit inter-base arm outcome correlation and vastly outperform the previous state-of-the-art UCB-based algorithms in realistic setups.  ( 3 min )

Recently, flat-minima optimizers, which seek to find parameters in low-loss neighborhoods, have been shown to improve a neural network's generalization performance over stochastic and adaptive gradient-based optimizers. Two methods have received significant attention due to their scalability: 1. Stochastic Weight Averaging (SWA), and 2. Sharpness-Aware Minimization (SAM). However, there has been limited investigation into their properties and no systematic benchmarking of them across different domains. We fill this gap here by comparing the loss surfaces of the models trained with each method and through broad benchmarking across computer vision, natural language processing, and graph representation learning tasks. We discover several surprising findings from these results, which we hope will help researchers further improve deep learning optimizers, and practitioners identify the right optimizer for their problem.  ( 2 min )

Learning the multivariate distribution of data is a core challenge in statistics and machine learning. Traditional methods aim for the probability density function (PDF) and are limited by the curse of dimensionality. Modern neural methods are mostly based on black-box models, lacking identifiability guarantees. In this work, we aim to learn multivariate cumulative distribution functions (CDFs), as they can handle mixed random variables, allow efficient box probability evaluation, and have the potential to overcome local sample scarcity owing to their cumulative nature. We show that any grid sampled version of a joint CDF of mixed random variables admits a universal representation as a naive Bayes model via the Canonical Polyadic (tensor-rank) decomposition. By introducing a low-rank model, either directly in the raw data domain, or indirectly in a transformed (Copula) domain, the resulting model affords efficient sampling, closed form inference and uncertainty quantification, and comes with uniqueness guarantees under relatively mild conditions. We demonstrate the superior performance of the proposed model in several synthetic and real datasets and applications including regression, sampling and data imputation. Interestingly, our experiments with real data show that it is possible to obtain better density/mass estimates indirectly via a low-rank CDF model, than a low-rank PDF/PMF model.  ( 2 min )

We consider the regret minimization task in a dueling bandits problem with context information. In every round of the sequential decision problem, the learner makes a context-dependent selection of two choice alternatives (arms) to be compared with each other and receives feedback in the form of noisy preference information. We assume that the feedback process is determined by a linear stochastic transitivity model with contextualized utilities (CoLST), and the learner's task is to include the best arm (with highest latent context-dependent utility) in the duel. We propose a computationally efficient algorithm, $\texttt{CoLSTIM}$, which makes its choice based on imitating the feedback process using perturbed context-dependent utility estimates of the underlying CoLST model. If each arm is associated with a $d$-dimensional feature vector, we show that $\texttt{CoLSTIM}$ achieves a regret of order $\tilde O( \sqrt{dT})$ after $T$ learning rounds. Additionally, we also establish the optimality of $\texttt{CoLSTIM}$ by showing a lower bound for the weak regret that refines the existing average regret analysis. Our experiments demonstrate its superiority over state-of-art algorithms for special cases of CoLST models.  ( 3 min )

Research in human-centered AI has shown the benefits of systems that can explain their predictions. Methods that allow an AI to take advice from humans in response to explanations are similarly useful. While both capabilities are well-developed for transparent learning models (e.g., linear models and GA$^2$Ms), and recent techniques (e.g., LIME and SHAP) can generate explanations for opaque models, little attention has been given to advice methods for opaque models. This paper introduces LIMEADE, the first general framework that translates both positive and negative advice (expressed using high-level vocabulary such as that employed by post-hoc explanations) into an update to an arbitrary, underlying opaque model. We demonstrate the generality of our approach with case studies on seventy real-world models across two broad domains: image classification and text recommendation. We show our method improves accuracy compared to a rigorous baseline on the image classification domains. For the text modality, we apply our framework to a neural recommender system for scientific papers on a public website; our user study shows that our framework leads to significantly higher perceived user control, trust, and satisfaction.  ( 3 min )

We derive a simple unified framework giving closed-form estimates for the test risk and other generalization metrics of kernel ridge regression (KRR). Relative to prior work, our derivations are greatly simplified and our final expressions are more readily interpreted. These improvements are enabled by our identification of a sharp conservation law which limits the ability of KRR to learn any orthonormal basis of functions. Test risk and other objects of interest are expressed transparently in terms of our conserved quantity evaluated in the kernel eigenbasis. We use our improved framework to: i) provide a theoretical explanation for the "deep bootstrap" of Nakkiran et al (2020), ii) generalize a previous result regarding the hardness of the classic parity problem, iii) fashion a theoretical tool for the study of adversarial robustness, and iv) draw a tight analogy between KRR and a well-studied system in statistical physics.  ( 2 min )

Both supervised and unsupervised machine learning algorithms have been used to learn partition-based index structures for approximate nearest neighbor (ANN) search. Existing supervised algorithms formulate the learning task as finding a partition in which the nearest neighbors of a training set point belong to the same partition element as the point itself, so that the nearest neighbor candidates can be retrieved by naive lookup or backtracking search. We formulate candidate set selection in ANN search directly as a multilabel classification problem where the labels correspond to the nearest neighbors of the query point, and interpret the partitions as partitioning classifiers for solving this task. Empirical results suggest that the natural classifier based on this interpretation leads to strictly improved performance when combined with any unsupervised or supervised partitioning strategy. We also prove a sufficient condition for consistency of a partitioning classifier for ANN search, and illustrate the result by verifying this condition for chronological $k$-d trees.  ( 3 min )

We initiate a formal study of reproducibility in optimization. We define a quantitative measure of reproducibility of optimization procedures in the face of noisy or error-prone operations such as inexact or stochastic gradient computations or inexact initialization. We then analyze several convex optimization settings of interest such as smooth, non-smooth, and strongly-convex objective functions and establish tight bounds on the limits of reproducibility in each setting. Our analysis reveals a fundamental trade-off between computation and reproducibility: more computation is necessary (and sufficient) for better reproducibility.  ( 2 min )

Deep neural network (DNN) classifiers are vulnerable to backdoor attacks. An adversary poisons some of the training data in such attacks by installing a trigger. The goal is to make the trained DNN output the attacker's desired class whenever the trigger is activated while performing as usual for clean data. Various approaches have recently been proposed to detect malicious backdoored DNNs. However, a robust, end-to-end training approach, like adversarial training, is yet to be discovered for backdoor poisoned data. In this paper, we take the first step toward such methods by developing a robust training framework, COLLIDER, that selects the most prominent samples by exploiting the underlying geometric structures of the data. Specifically, we effectively filter out candidate poisoned data at each training epoch by solving a geometrical coreset selection objective. We first argue how clean data samples exhibit (1) gradients similar to the clean majority of data and (2) low local intrinsic dimensionality (LID). Based on these criteria, we define a novel coreset selection objective to find such samples, which are used for training a DNN. We show the effectiveness of the proposed method for robust training of DNNs on various poisoned datasets, reducing the backdoor success rate significantly.  ( 3 min )

This paper is focused on the study of entropic regularization in optimal transport as a smoothing method for Wasserstein estimators, through the prism of the classical tradeoff between approximation and estimation errors in statistics. Wasserstein estimators are defined as solutions of variational problems whose objective function involves the use of an optimal transport cost between probability measures. Such estimators can be regularized by replacing the optimal transport cost by its regularized version using an entropy penalty on the transport plan. The use of such a regularization has a potentially significant smoothing effect on the resulting estimators. In this work, we investigate its potential benefits on the approximation and estimation properties of regularized Wasserstein estimators. Our main contribution is to discuss how entropic regularization may reach, at a lowest computational cost, statistical performances that are comparable to those of un-regularized Wasserstein estimators in statistical learning problems involving distributional data analysis. To this end, we present new theoretical results on the convergence of regularized Wasserstein estimators. We also study their numerical performances using simulated and real data in the supervised learning problem of proportions estimation in mixture models using optimal transport.  ( 2 min )

While deep neural networks are highly performant and successful in a wide range of real-world problems, estimating their predictive uncertainty remains a challenging task. To address this challenge, we propose and implement a loss function for regression uncertainty estimation based on the Bayesian Validation Metric (BVM) framework while using ensemble learning. The proposed loss reproduces maximum likelihood estimation in the limiting case. A series of experiments on in-distribution data show that the proposed method is competitive with existing state-of-the-art methods. Experiments on out-of-distribution data show that the proposed method is robust to statistical change and exhibits superior predictive capability.  ( 2 min )

Recovering a planted vector $v$ in an $n$-dimensional random subspace of $\mathbb{R}^N$ is a generic task related to many problems in machine learning and statistics, such as dictionary learning, subspace recovery, principal component analysis, and non-Gaussian component analysis. In this work, we study computationally efficient estimation and detection of a planted vector $v$ whose $\ell_4$ norm differs from that of a Gaussian vector with the same $\ell_2$ norm. For instance, in the special case where $v$ is an $N \rho$-sparse vector with Bernoulli-Gaussian or Bernoulli-Rademacher entries, our results include the following: (1) We give an improved analysis of a slight variant of the spectral method proposed by Hopkins, Schramm, Shi, and Steurer (2016), showing that it approximately recovers $v$ with high probability in the regime $n \rho \ll \sqrt{N}$. This condition subsumes the conditions $\rho \ll 1/\sqrt{n}$ or $n \sqrt{\rho} \lesssim \sqrt{N}$ required by previous work up to polylogarithmic factors. We achieve $\ell_\infty$ error bounds for the spectral estimator via a leave-one-out analysis, from which it follows that a simple thresholding procedure exactly recovers $v$ with Bernoulli-Rademacher entries, even in the dense case $\rho = 1$. (2) We study the associated detection problem and show that in the regime $n \rho \gg \sqrt{N}$, any spectral method from a large class (and more generally, any low-degree polynomial of the input) fails to detect the planted vector. This matches the condition for recovery and offers evidence that no polynomial-time algorithm can succeed in recovering a Bernoulli-Gaussian vector $v$ when $n \rho \gg \sqrt{N}$.  ( 3 min )

An important feature of kernel mean embeddings (KME) is that the rate of convergence of the empirical KME to the true distribution KME can be bounded independently of the dimension of the space, properties of the distribution and smoothness features of the kernel. We show how to speed-up convergence by leveraging variance information in the RKHS. Furthermore, we show that even when such information is a priori unknown, we can efficiently estimate it from the data, recovering the desiderata of a distribution agnostic bound that enjoys acceleration in fortuitous settings. We illustrate our methods in the context of hypothesis testing and robust parametric estimation.  ( 2 min )

In recent years, we have seen a handful of work on inference algorithms over non-stationary data streams. Given their flexibility, Bayesian non-parametric models are a good candidate for these scenarios. However, reliable streaming inference under the concept drift phenomenon is still an open problem for these models. In this work, we propose a variational inference algorithm for Dirichlet process mixture models. Our proposal deals with the concept drift by including an exponential forgetting over the prior global parameters. Our algorithm allows to adapt the learned model to the concept drifts automatically. We perform experiments in both synthetic and real data, showing that the proposed model is competitive with the state-of-the-art algorithms in the density estimation problem, and it outperforms them in the clustering problem.  ( 2 min )

The implicit biases of gradient-based optimization algorithms are conjectured to be a major factor in the success of modern deep learning. In this work, we investigate the implicit bias of gradient flow and gradient descent in two-layer fully-connected neural networks with leaky ReLU activations when the training data are nearly-orthogonal, a common property of high-dimensional data. For gradient flow, we leverage recent work on the implicit bias for homogeneous neural networks to show that asymptotically, gradient flow produces a neural network with rank at most two. Moreover, this network is an $\ell_2$-max-margin solution (in parameter space), and has a linear decision boundary that corresponds to an approximate-max-margin linear predictor. For gradient descent, provided the random initialization variance is small enough, we show that a single step of gradient descent suffices to drastically reduce the rank of the network, and that the rank remains small throughout training. We provide experiments which suggest that a small initialization scale is important for finding low-rank neural networks with gradient descent.  ( 2 min )

The stochastic heavy ball method (SHB), also known as stochastic gradient descent (SGD) with Polyak's momentum, is widely used in training neural networks. However, despite the remarkable success of such algorithm in practice, its theoretical characterization remains limited. In this paper, we focus on neural networks with two and three layers and provide a rigorous understanding of the properties of the solutions found by SHB: \emph{(i)} stability after dropping out part of the neurons, \emph{(ii)} connectivity along a low-loss path, and \emph{(iii)} convergence to the global optimum. To achieve this goal, we take a mean-field view and relate the SHB dynamics to a certain partial differential equation in the limit of large network widths. This mean-field perspective has inspired a recent line of work focusing on SGD while, in contrast, our paper considers an algorithm with momentum. More specifically, after proving existence and uniqueness of the limit differential equations, we show convergence to the global optimum and give a quantitative bound between the mean-field limit and the SHB dynamics of a finite-width network. Armed with this last bound, we are able to establish the dropout-stability and connectivity of SHB solutions.  ( 2 min )

The recent advent of powerful generative models has triggered the renewed development of quantitative measures to assess the proximity of two probability distributions. As the scalar Frechet inception distance remains popular, several methods have explored computing entire curves, which reveal the trade-off between the fidelity and variability of the first distribution with respect to the second one. Several of such variants have been proposed independently and while intuitively similar, their relationship has not yet been made explicit. In an effort to make the emerging picture of generative evaluation more clear, we propose a unification of four curves known respectively as: the precision-recall (PR) curve, the Lorenz curve, the receiver operating characteristic (ROC) curve and a special case of R\'enyi divergence frontiers. In addition, we discuss possible links between PR / Lorenz curves with the derivation of domain adaptation bounds.  ( 2 min )

Calibration means that forecasts and average realized frequencies are close. We develop the concept of forecast hedging, which consists of choosing the forecasts so as to guarantee that the expected track record can only improve. This yields all the calibration results by the same simple basic argument while differentiating between them by the forecast-hedging tools used: deterministic and fixed point based versus stochastic and minimax based. Additional contributions are an improved definition of continuous calibration, ensuing game dynamics that yield Nash equilibria in the long run, and a new calibrated forecasting procedure for binary events that is simpler than all known such procedures.  ( 2 min )

We propose to smooth out the calibration score, which measures how good a forecaster is, by combining nearby forecasts. While regular calibration can be guaranteed only by randomized forecasting procedures, we show that smooth calibration can be guaranteed by deterministic procedures. As a consequence, it does not matter if the forecasts are leaked, i.e., made known in advance: smooth calibration can nevertheless be guaranteed (while regular calibration cannot). Moreover, our procedure has finite recall, is stationary, and all forecasts lie on a finite grid. To construct the procedure, we deal also with the related setups of online linear regression and weak calibration. Finally, we show that smooth calibration yields uncoupled finite-memory dynamics in n-person games "smooth calibrated learning" in which the players play approximate Nash equilibria in almost all periods (by contrast, calibrated learning, which uses regular calibration, yields only that the time-averages of play are approximate correlated equilibria).  ( 2 min )

Denoising diffusion models (DDMs) have shown promising results in 3D point cloud synthesis. To advance 3D DDMs and make them useful for digital artists, we require (i) high generation quality, (ii) flexibility for manipulation and applications such as conditional synthesis and shape interpolation, and (iii) the ability to output smooth surfaces or meshes. To this end, we introduce the hierarchical Latent Point Diffusion Model (LION) for 3D shape generation. LION is set up as a variational autoencoder (VAE) with a hierarchical latent space that combines a global shape latent representation with a point-structured latent space. For generation, we train two hierarchical DDMs in these latent spaces. The hierarchical VAE approach boosts performance compared to DDMs that operate on point clouds directly, while the point-structured latents are still ideally suited for DDM-based modeling. Experimentally, LION achieves state-of-the-art generation performance on multiple ShapeNet benchmarks. Furthermore, our VAE framework allows us to easily use LION for different relevant tasks: LION excels at multimodal shape denoising and voxel-conditioned synthesis, and it can be adapted for text- and image-driven 3D generation. We also demonstrate shape autoencoding and latent shape interpolation, and we augment LION with modern surface reconstruction techniques to generate smooth 3D meshes. We hope that LION provides a powerful tool for artists working with 3D shapes due to its high-quality generation, flexibility, and surface reconstruction. Project page and code: https://nv-tlabs.github.io/LION.  ( 3 min )

Real-world data for classification is often labeled by multiple annotators. For analyzing such data, we introduce CROWDLAB, a straightforward approach to estimate: (1) A consensus label for each example that aggregates the individual annotations (more accurately than aggregation via majority-vote or other algorithms used in crowdsourcing); (2) A confidence score for how likely each consensus label is correct (via well-calibrated estimates that account for the number of annotations for each example and their agreement, prediction-confidence from a trained classifier, and trustworthiness of each annotator vs. the classifier); (3) A rating for each annotator quantifying the overall correctness of their labels. While many algorithms have been proposed to estimate related quantities in crowdsourcing, these often rely on sophisticated generative models with iterative inference schemes, whereas CROWDLAB is based on simple weighted ensembling. Many algorithms also rely solely on annotator statistics, ignoring the features of the examples from which the annotations derive. CROWDLAB in contrast utilizes any classifier model trained on these features, which can generalize between examples with similar features. In evaluations on real-world multi-annotator image data, our proposed method provides superior estimates for (1)-(3) than many alternative algorithms.  ( 2 min )

We provide an efficient unified plug-in approach for estimating symmetric properties of distributions given $n$ independent samples. Our estimator is based on profile-maximum-likelihood (PML) and is sample optimal for estimating various symmetric properties when the estimation error $\epsilon \gg n^{-1/3}$. This result improves upon the previous best accuracy threshold of $\epsilon \gg n^{-1/4}$ achievable by polynomial time computable PML-based universal estimators [ACSS21, ACSS20]. Our estimator reaches a theoretical limit for universal symmetric property estimation as [Han21] shows that a broad class of universal estimators (containing many well known approaches including ours) cannot be sample optimal for every $1$-Lipschitz property when $\epsilon \ll n^{-1/3}$.  ( 2 min )

Recent work has established that the conditional mutual information (CMI) framework of Steinke and Zakynthinou (2020) is expressive enough to capture generalization guarantees in terms of algorithmic stability, VC dimension, and related complexity measures for conventional learning (Harutyunyan et al., 2021, Haghifam et al., 2021). Hence, it provides a unified method for establishing generalization bounds. In meta learning, there has so far been a divide between information-theoretic results and results from classical learning theory. In this work, we take a first step toward bridging this divide. Specifically, we present novel generalization bounds for meta learning in terms of the evaluated CMI (e-CMI). To demonstrate the expressiveness of the e-CMI framework, we apply our bounds to a representation learning setting, with $n$ samples from $\hat n$ tasks parameterized by functions of the form $f_i \circ h$. Here, each $f_i \in \mathcal F$ is a task-specific function, and $h \in \mathcal H$ is the shared representation. For this setup, we show that the e-CMI framework yields a bound that scales as $\sqrt{ \mathcal C(\mathcal H)/(n\hat n) + \mathcal C(\mathcal F)/n} $, where $\mathcal C(\cdot)$ denotes a complexity measure of the hypothesis class. This scaling behavior coincides with the one reported in Tripuraneni et al. (2020) using Gaussian complexity.  ( 3 min )

Compact neural networks used in policy learning and closed-loop end-to-end control learn representations from data that encapsulate agent dynamics and potentially the agent-environment's factors of variation. A formal and quantitative understanding and interpretation of these explanatory factors in neural representations is difficult to achieve due to the complex and intertwined correspondence of neural activities with emergent behaviors. In this paper, we design a new algorithm that programmatically extracts tree representations from compact neural policies, in the form of a set of logic programs grounded by the world state. To assess how well networks uncover the dynamics of the task and their factors of variation, we introduce interpretability metrics that measure the disentanglement of learned neural dynamics from a concentration of decisions, mutual information, and modularity perspectives. Moreover, our method allows us to quantify how accurate the extracted decision paths (explanations) are and computes cross-neuron logic conflict. We demonstrate the effectiveness of our approach with several types of compact network architectures on a series of end-to-end learning to control tasks.  ( 2 min )

We prove closed-form equations for the exact high-dimensional asymptotics of a family of first order gradient-based methods, learning an estimator (e.g. M-estimator, shallow neural network, ...) from observations on Gaussian data with empirical risk minimization. This includes widely used algorithms such as stochastic gradient descent (SGD) or Nesterov acceleration. The obtained equations match those resulting from the discretization of dynamical mean-field theory (DMFT) equations from statistical physics when applied to gradient flow. Our proof method allows us to give an explicit description of how memory kernels build up in the effective dynamics, and to include non-separable update functions, allowing datasets with non-identity covariance matrices. Finally, we provide numerical implementations of the equations for SGD with generic extensive batch-size and with constant learning rates.  ( 2 min )

We present a novel kernel over the space of probability measures based on the dual formulation of optimal regularized transport. We propose an Hilbertian embedding of the space of probabilities using their Sinkhorn potentials, which are solutions of the dual entropic relaxed optimal transport between the probabilities and a reference measure $\mathcal{U}$. We prove that this construction enables to obtain a valid kernel, by using the Hilbert norms. We prove that the kernel enjoys theoretical properties such as universality and some invariances, while still being computationally feasible. Moreover we provide theoretical guarantees on the behaviour of a Gaussian process based on this kernel. The empirical performances are compared with other traditional choices of kernels for processes indexed on distributions.  ( 2 min )

Computer simulations have proven a valuable tool for understanding complex phenomena across the sciences. However, the utility of simulators for modelling and forecasting purposes is often restricted by low data quality, as well as practical limits to model fidelity. In order to circumvent these difficulties, we argue that modellers must treat simulators as idealistic representations of the true data generating process, and consequently should thoughtfully consider the risk of model misspecification. In this work we revisit neural posterior estimation (NPE), a class of algorithms that enable black-box parameter inference in simulation models, and consider the implication of a simulation-to-reality gap. While recent works have demonstrated reliable performance of these methods, the analyses have been performed using synthetic data generated by the simulator model itself, and have therefore only addressed the well-specified case. In this paper, we find that the presence of misspecification, in contrast, leads to unreliable inference when NPE is used naively. As a remedy we argue that principled scientific inquiry with simulators should incorporate a model criticism component, to facilitate interpretable identification of misspecification and a robust inference component, to fit 'wrong but useful' models. We propose robust neural posterior estimation (RNPE), an extension of NPE to simultaneously achieve both these aims, through explicitly modelling the discrepancies between simulations and the observed data. We assess the approach on a range of artificially misspecified examples, and find RNPE performs well across the tasks, whereas naively using NPE leads to misleading and erratic posteriors.  ( 3 min )

Paper: https://arxiv.org/abs/2210.05359 Abstract: Successful and effective communication between humans and AI relies on a shared experience of the world. By training solely on written text, current language models (LMs) miss the grounded experience of humans in the real-world -- their failure to relate language to the physical world causes knowledge to be misrepresented and obvious mistakes in their reasoning. We present Mind's Eye, a paradigm to ground language model reasoning in the physical world. Given a physical reasoning question, we use a computational physics engine (DeepMind's MuJoCo) to simulate the possible outcomes, and then use the simulation results as part of the input, which enables language models to perform reasoning. Experiments on 39 tasks in a physics alignment benchmark demonstrate that Mind's Eye can improve reasoning ability by a large margin (27.9% zero-shot, and 46.0% few-shot absolute accuracy improvement on average). Smaller language models armed with Mind's Eye can obtain similar performance to models that are 100x larger. Finally, we confirm the robustness of Mind's Eye through ablation studies. https://preview.redd.it/ie7jdqhwmnt91.jpg?width=1092&format=pjpg&auto=webp&s=ebff5cab2c805549e85fb2eccfdadd0644d95d9f https://preview.redd.it/3wrxbnhwmnt91.jpg?width=1180&format=pjpg&auto=webp&s=09aa2773a853ab564cfbb11811a18d21165a06e4 https://preview.redd.it/7frgfxhwmnt91.jpg?width=991&format=pjpg&auto=webp&s=0bfcb01b5707d6e1892fc3100b960a5f9c203707 https://preview.redd.it/k6mm4rhwmnt91.jpg?width=1191&format=pjpg&auto=webp&s=00c452f58e79b6ea003883826e50653f907221d5 submitted by /u/Singularian2501 [link] [comments]  ( 125 min )

Could anybody suggest any topic for a thesis in cyber security and artificial intelligence? I am really struggling to come up with a topic That includes shortlisting from multiple topics (I can access tools like Web of Science) Any help or guidance is appreciated. submitted by /u/aap9000 [link] [comments]  ( 123 min )

Hi r/MachineLearning! We recently published CLIP-Fields: (github) a way to train an implicit model over any physical space with zero human labels that you can query with open-vocab natural language! We used it to make some robots run around, for example, our lab kitchen, responding to different queries like "warm up my lunch" or "throw out my trash"! Free lunch not included with the model* We made this using pretty recent advances in web-data pretrained models like Detic and LSeg for detection, CLIP for visual queries, and Sentence BERT for semantic queries. Our "database" is really a neural field (Instant NGP) that maps from 3D coordinates to a high dimensional embedding vector in the same representation space as CLIP and SBERT. Best part, I believe, is that you should be able to train your own CLIP-Field for your living room if you have an hour, a decent GPU, and a way to get RGB-D video (an iPhone 13 Pro works great!) I hope you can give the code a try: https://github.com/notmahi/clip-fields or check out the website https://mahis.life/clip-fields/ for more interactive demos. Our Arxiv submission is also out now, at https://arxiv.org/abs/2210.05663, and if you want a longer tl;dr with a couple more videos, check out this tweet. Thanks! submitted by /u/not_mahi [link] [comments]  ( 126 min )

hiyo /ml, I do program synthesis as a profession for over 10 years, and I've recently finished writing a blog series, explaining how to get started in program synthesis. Here's an excerpt from the about page: Program synthesis is useful – Who wouldn’t want to make a computer that automatically writes programs? As humans and computers continue to work in collaboration, the distinction between programming, program-synthesis, and naturalistic communication will continue to blur. However, there is a knowledge gap between how to build state of the art program synthesis algorithms and what is generally known about it. This gap is much bigger than it needs to be. This blog aims to shrink this knowledge gap, so that you can start applying program synthesis to your own works. We will cover both the concepts of program synthesis – so you can have a framework to think and talk about it, and the bare-minimum toolings required to implement these algorithms – so you can start iterating on solutions. Ultimately, I hope researchers and system-builders can view “programming” as more than typing obscure green characters onto an uncompromising black terminal, and build systems that are as empathetic as they are efficient. specifically, it covers topics from how to formulate a synthesis problem, to how to fine-tune llm on huggingface to write programs to match a specification. blog : https://evanthebouncy.github.io/program-synthesis-minimal/ twitter thread: https://twitter.com/evanthebouncy/status/1580634593685753856 I can take some questions in this thread, please feel free to ask me anythings, from technical to hot-takes. --evan submitted by /u/evanthebouncy [link] [comments]  ( 137 min )

When it come to brain or chest x ray /ct/ mri how can we handle these images when we want to apply image classification? Do we need to apply augmentation? I read a little about Histogram Equalization and saw few examples of some people applying it to xray images but I don't understand is it part of augmentation? Are there any similar methods as Histogram Equalization? submitted by /u/sk8er_girl90 [link] [comments]  ( 129 min )

We've added a simple way to profile any model serving endpoint, including FastAPI, to identify bottlenecks and make inference (incl. data processing) faster, especially for big models and data. Wanted to share it here in case someone is struggling with profiling and monitoring of deployed code and models. By default, generic Python profiler will automatically profile some of the inferences (and measure all inferences). You can also specify other profilers for PyTorch, TensorFlow, Jax and ONNX Runtime. All profiles and metrics will be available on the SaaS dashboard, no need to setup anything. A couple of links to get started: Repo: https://github.com/graphsignal/graphsignal FastAPI example: https://graphsignal.com/docs/integrations/fastapi/ Happy for any feedback! submitted by /u/l0g1cs [link] [comments]  ( 124 min )

Although the origin of this problem isn't in the medical field, as it's a fairly popular and understood example I've translated the problem into those terms. Let's say we have a dataset of millions of patients, for each of them we have the following: - A bunch of statistics about them, such as weight/vitals/blood levels/nutrient levels etc... etc... - The drug they have taken, classed 1 to 5 (not equally distributed) - Whether they recovered: 1, or have not: 0 (roughly 50/50 split but not equally distributed among the other factors) What I want to do is to be able to recommend a drug based on the recovery rate + their statistics. For instance, it may be that drug 1 works better with patients with a high blood pressure vs. the other drugs. My current idea is to build 1 model per drug …  ( 125 min )

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I'm looking for datasets with moral stories for my project, preferably with what moral/message of the book is and the content of the book submitted by /u/hanakokunn [link] [comments]  ( 128 min )

Here's an update of our work (/u/da_mulle and I) on generating photorealistic AI images! We've launched a showcase of our latest images: https://nyx.gallery/ This is a continuation of our work on "This Food Does Not Exist" (Reddit discussion, Github, checkpoints). Three months ago we made a first release consisting of 4 StyleGAN models, each trained on a specific food item: cookies, cheesecake, cocktail and sushi. We have now considerably improved our approach: multi-class StyleGANs (eg the images for cookies, cheesecakes, cocktails, sushis and burgers are all from a single model) we've started experimenting, without surprise, with Stable Diffusion (you can see what model was used on each image) we're also training upscaling and filtering models to build a full pipeline and as you can see, many more modalities than just food! submitted by /u/MasterScrat [link] [comments]  ( 125 min )

The proof is simple: attention=softmax(QKt)V =softmax(XWq (XWk)t)XWv =softmax(XWqWktXt)XWv let Wk'=WkWq' attention=softmax(X(XWk')t)XWv =softmax(XK')V now we see that Q=XWq is replaced by X, reduced 1/4 paramters in attention module. I did real experiment and found that with 3/4 parameters of original attention, the difference of loss is 0.01 during the training process and does not increase. Though Wq is not necessary, but with 1/4 more parameters it seems just slightly better. But in multihead attention, Wq is necessary. However, research has shown that stacking many small single heads attention modules to form a very deep model is better than wider multi-head attention (single head is enough). submitted by /u/wangyi_fudan [link] [comments]  ( 139 min )

Some initial benchmarks can be found here: https://www.pugetsystems.com/labs/hpc/NVIDIA-RTX4090-ML-AI-and-Scientific-Computing-Performance-Preliminary-2382/ To me it looks very disappointing, but unfortunately expected given the memory limitations. submitted by /u/killver [link] [comments]  ( 123 min )

I am starting with GKE today, and I have pushed the following Docker image into the container registry: ​ https://preview.redd.it/h72tah0kpjt91.png?width=2264&format=png&auto=webp&s=388ecaf32755fb5a464a8af857ce4ee47cc03c07 Then I created a Kuberenetes autopilot cluster (with all default settings from the IDE). When I try to deploy this docker image into the k8s cluster, I get the following errors: https://preview.redd.it/9qere9ixpjt91.jpg?width=1600&format=pjpg&auto=webp&s=e3434c163e0643e90ccda2c10420191c047a7726 Going into the cluster view shows the following info: https://preview.redd.it/ys56ukc0qjt91.png?width=2336&format=png&auto=webp&s=deccfe61db09c297b40c18c80d3480117f635177 So, how do I scale it up? I tried to increase the quotas, but it says I need to contact customer support to increase quotas, who will take 24-48 hours to respond, and I need this deployment by today: https://preview.redd.it/vf2eobu7xjt91.png?width=2880&format=png&auto=webp&s=def1859193287ef683c5c262addd45705753cd11 How do I make this deployment work? I just want the simplest possible solution. Cost is not a concern as I have the $300 free credits and I just need this deployment to work and last for 1 day, for a demo. Any help is appreciated. Thanks! submitted by /u/ResearcherNo4728 [link] [comments]  ( 125 min )

Hi, I run a startup with three other founders and I have a problem that machine learning and OCR (optical character recognition) would solve. But we are stretched thin and it has been a few years since my CTO - a software architect with nearly 40 years experience - worked on anything similar, so we are unsure if this exercise would pull us away from our core focus too much. That is why we are looking for someone who is interested in taking on this problem as a project. This is a bounded problem, meaning it is very achievable. We just don't know how long it would take. We are willing to offer equity as part of an model called restricted stock units, so if we are commercially successful you would have a signed agreement from us to claim a nominal amount of shares. The Problem This is a s…  ( 128 min )

I'm working on Unsupervised Video Anomaly Detection, and I've tried implementing the Generative Cooperative Learning method, with the help of [this](https://arxiv.org/abs/2203.03962) paper. ​ The method uses a fixed backbone (ResNext-101) for video feature extraction. The videos are divided into segments of 16 frames, and a feature vector is computed for each segment. A generator (a simple autoencoder) provides pseudo labels (based on the reconstruction error) for the discriminator which is a simple fully connected classifier. Pseudo labels from the discriminator are used to improve the generator using a process called negative learning, and in this fashion, the Generator and Discriminator are put in a collaborative learning loop, and the loss eventually converges. ​ I've recently come across the [Deep Clustering](https://openaccess.thecvf.com/content_ECCV_2018/papers/Mathilde_Caron_Deep_Clustering_for_ECCV_2018_paper.pdf) paper , and was wondering if we can use a clustering method instead of the autoencoder as part of the generator. I think we can use the cosine distance as a good distance metric. The troublesome part however, is thinking of a good criteria for generating the pseudo labels. ​ With the autoencoder, the reconstruction error is a pretty intuitive criteria for pseudo labelling. Since anomalies are sparse, the autoencoder will not be able to reconstruct them properly and so they will have large(r) reconstruction errors. ​ What can be a similar criteria that we can use for pseudo labelling if we use a clustering method instead of an autoencoder? submitted by /u/esem29 [link] [comments]  ( 126 min )

I'm trying to create a neural network that can differentiate between different lung conditions. I've recorded breathing sounds through stethoscope and plan to create a machine learning model accordingly. Do I need to split each breath into a different audio file? Or can a neural network analyze a 30-second clip of a patient breathing? Taking into account the large data, I'm trying to avoid having to split each audio file into smaller pieces. However I do not want this to affect the moral accuracy. Any support would be appreciated! submitted by /u/SSC_08 [link] [comments]  ( 129 min )

What are the options to deploy and manage Tensorflow Lite models used in an Android app? Ideally I would like to be able to update the model without updating the app. This is for a shopping app that needs a local model for inference, and the model changes weekly Thanks submitted by /u/99posse [link] [comments]  ( 125 min )

Hello, everyone！ We have created an open-source all-in-one 3D medical image segmentation toolkit called MedicalSeg. MedicalSeg supports the whole segmentation process including data labeling, data preprocessing, model training, and model deployment. Major features include: Data preprocessing with 30% acceleration using CuPy. High precision pre-trained models on 5 different organs. High precision models including nnUnet, TransUnet, UNETR, Vnet, and more models are coming soon! 3D visualization demo based on itkwidgets. AI-assisted 3D medical image annotation platform called EISeg-Med3D： With the 3D segmentation model incorporated into the interactive segmentation algorithm, we managed to improve the annotation efficiency by ten times through AI-assisted click interaction! Combined with the machine learning algorithms and manual annotation toolkit, 100% accuracy is right on your hand. Let alone it is user-friendly and your annotation results and progress are saved automatically. The following images demonstrate the segmentation result predicted by MedicalSeg: Lung Segmentation Result Spine Segmentation Result ​ EISeg- Med3D label process EISeg-Med3D: https://github.com/PaddlePaddle/PaddleSeg/blob/develop/EISeg/med3d/README_en.md MedicalSeg: https://github.com/PaddlePaddle/PaddleSeg/blob/develop/contrib/MedicalSeg/README.md submitted by /u/Daisy_SUGARFREE [link] [comments]  ( 157 min )

Two years ago I created a library for performing Nested Cross Validation for hyperparameter tuning and model evaluation on classification problems. It's built on top of `sklearn`, `imblearn` and `skopt`. It is specially designed for binary or multiclass classification problems where either there is an imbalance problem or probability calibration is very important (or both). Today I've released a totally new version with better code, documentation and examples that I hope will make it easier to use for practitioners. https://github.com/JaimeArboleda/nestedcvtraining submitted by /u/fripperML [link] [comments]  ( 125 min )

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Hi, I am a master's student working on GAN in speech enhancement. Probably I must say I learned a lot from this topic and I had to restudy probability to get an understanding of generative models and such. I am just curious whether the generative model such as GAN is still a good topic for Ph.D. since recently I am getting exposed to the current model such as diffusion model. BTW, I also interested in information bottleneck in deep learning. Any suggestion would be helpful :) thanks submitted by /u/aozorahime [link] [comments]  ( 134 min )

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I made a website for a PoC, but currently its not really working well especially for those images that have some human-like brush styles https://www.illuminarty.ai/ This started off as a pure hobby based but I started getting a bit of some traction from the art communities (mainly anime), now I am seriously considering if I should start spending more time on this but I lack brain cells is anyone here interested in this topic? do you think this would be of any use? submitted by /u/borrito3179 [link] [comments]  ( 109 min )

Hey everyone, I've been getting into AI and ML for my job and people are often bringing up AI/ML v. Model Risk Management, and I'm a bit confused. I'm just trying to understand situations when an AI or ML system WOULDN'T utilize a model. And honestly, what a model really is. As I understand it, training data is fed to a system with an algorithm and the system utilizes that to create a model. Then new data is analyzed against that model and decisions are made. Can someone help me understand a little more? And maybe some examples of an AI system that wouldn't have a model? Thanks so much! submitted by /u/MarbledCoffeecake [link] [comments]  ( 124 min )

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/r/solcial The comments and posts look like they were written by either bots or humans who were paid to be there. submitted by /u/solidwhetstone [link] [comments]  ( 113 min )

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I've started writing (since Monday) a daily email (mon-fri) on all the things going on in AI. I'm just in a deep deep rabbit hole and want to capture it in one place. Includes links to products, demos, videos, papers, images - basically all of it. I'm trying to capture the biggest announcements every day as this space is moving so fast! I need to tweak my emails a bit and make them shorter but I'm enjoying the process. If you're interested in checking it out, leave a comment and I'll drop the link! ​ Today's email mention, amongst other things; - Runway ML, Microsoft and Hugging Face updates - AI voice studio - Youtube transcription tool - article2image - Sarah Guo's $100m fund - SD create/share sites submitted by /u/bentossell [link] [comments]  ( 112 min )

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It was midnight. I woke up to the fire alarm going off. I rushed downstairs, and found out that the kitchen was on fire. I had left on the stove for too long. I quickly called 911, but then, I made a horrible realization. I could see smoke in the bathroom. That’s when I knew I couldn’t call 911. I dashed into the bathroom, and extinguished the fire with the curtain. I began to cry, and I could feel my heart beating very fast. My heart was pounding like crazy. I stood there for a moment, staring at the fire. But then I saw something. A small red blob on the wall. It was coming from the vent. I opened it, and a rush of smoke came out. I tried to put out the fire. At first, I was able to, but soon, it was on me. The smoke was getting more intense, and I began to cough. I had no way to get out. I could feel my throat burning. The fire was spreading fast, and it was getting harder to breathe. I kept coughing, but the smoke wouldn’t go out. The only way out was through the vent. I sucked in as much as I could, and then let the vent back out. The only thing I was thinking about was my mother. I didn’t want her to worry. Finally, the smoke went out, and I could breathe again. I went back to the kitchen, and I looked at the damage. The cabinets were burned, and the stove was melted. I just sat there for a moment, thinking about what to do next. When I realized that it wasn’t going to fix itself, I grabbed a flashlight, and a bag. I headed out the back door, and took a chance that I wouldn’t get lost. I walked for hours. At some point, I heard cars passing. I knew I had to walk far enough that they wouldn’t find me. I remember passing a turn off, and I knew I had to turn around. When I got home, I headed straight to my mother. She asked me where I had been, and why I wasn’t in my room. I told her the truth. submitted by /u/Ordinary-Pool6007 [link] [comments]  ( 112 min )

Hello, everyone! Our gang is working on developing a very empathetic and romanceable AI bot, but the information, to make it a real semblance of a human being, is essential. Since Replika app is probably one of the greatest impersonations of that notion, we are looking for respondents that have been using it (or any such analogues) regularly, have at least 30+lvl and… Would kindly participate in a 30 min interview. For appreciating your contribution, we are giving you a $25 Amazon gift card. Book an appointment here: https://calendly.com/atsai5/30-minute-interview-2 This is not only for those who have romantic relationships with Replika but we also hope to find out what relationships people want to have and will set those options in the future! Also, in the future, we are going to launch our product in the US market, so we are conducting research on users of the Western and European countries. This is very important if we want to get accurate results, as each country is unique and has its own specific traits. Sorry for the inconvenience T^T! Looking forward to seeing you! Thanks in advance! (ps.: if the time schedule on the Calendly page is not convenient for you, feel free to send me a message and we will set the meeting) submitted by /u/juggo_sipeo [link] [comments]  ( 109 min )

submitted by /u/bendee983 [link] [comments]  ( 110 min )

If you're looking for some of the interesting AI chatbot use cases with examples, it's a quick read: https://www.haptik.ai/blog/conversational-ai-in-apac?utm_source=website&utm_medium=blog&utm_campaign=conversationalAI&utm_content=read+more submitted by /u/Haptik-AI [link] [comments]  ( 114 min )

You must have come across matrix multiplication in school textbooks. But did you know how relevant it is in every aspect of our daily lives, from processing images on our phones and recognising speech commands to generating graphics for computer games? https://analyticsindiamag.com/why-solving-for-efficiency-of-matrix-multiplication-such-a-big-deal-in-computing/ submitted by /u/analyticsindiam [link] [comments]  ( 119 min )

submitted by /u/rdhikshith [link] [comments]  ( 111 min )

submitted by /u/walt74 [link] [comments]  ( 112 min )

submitted by /u/Lakshmireddys [link] [comments]  ( 107 min )

I'm looking for a few college students that would be willing to partake in a 20-30 minute interview discussing their thoughts/reaction to an AI project I'm involved with. submitted by /u/Accomplished_Head5 [link] [comments]  ( 108 min )

Overall, the Jasper AI product is a great investment for those who want to save time and money by outsourcing their content. This service will help you produce high-quality copy with few mistakes, all while reducing your risk of making errors when writing. Jasper AI offers over 50+ content templates for you to choose from which makes it the perfect solution for any blogger or business owner that needs help with writing SEO-friendly blog posts, social media copywriting, ad campaigns, email subject lines, and more. The AI-generated output produced by Jasper is 99.99% original content that is free of plagiarism. This will allow you to generate high-quality content that’s also SEO-optimized in a fraction of the time you normally would. The real power lies in Boss Mode which unlocks the long-form assistant allowing you to write full blog posts, marketing emails, or even entire books! Get 10,000 words free with jasper >>HERE<< submitted by /u/Regillio14 [link] [comments]  ( 108 min )

Hey Everyone, I wanted to ask around to see if anyone had any examples regarding misuse of user information for a machine learning algorithm? I have done a little bit of research and I can't find any major cases of happening. I am currently doing research on the ethics and safety considerations of data collection in the context of machine learning. Any examples or help in general would be greatly appreciated! Thanks for taking the time to read my post. submitted by /u/ThunderMoofin [link] [comments]  ( 108 min )

submitted by /u/PureBrew [link] [comments]  ( 107 min )

Amazon SageMaker Pipelines is a continuous integration and continuous delivery (CI/CD) service designed for machine learning (ML) use cases. You can use it to create, automate, and manage end-to-end ML workflows. It tackles the challenge of orchestrating each step of an ML process, which requires time, effort, and resources. To facilitate its use, multiple templates […]  ( 9 min )

If you have searched for an item to buy on amazon.com, you have used Amazon Search services. At Amazon Search, we’re responsible for the search and discovery experience for our customers worldwide. In the background, we index our worldwide catalog of products, deploy highly scalable AWS fleets, and use advanced machine learning (ML) to match […]  ( 6 min )

If a science book shows you obviously elliptical orbits of planets, it is literally stretching the truth. I was taught that our benighted ancestors insisted that planetary orbits are circles for philosophical reasons. In fact, they insisted planetary orbits are circular because they very nearly are. Here’s a plot of the orbits of all nine […] Planetary orbits are very nearly circular first appeared on John D. Cook.  ( 4 min )

I was surprised the first time a client told me that a query would cost them $100,000 to run. If you think about querying a database on your laptop, a long query would take a minute, and what’s the cost of a minute’s worth of electricity? Too small to meter. But some of my clients […] Saving money on big queries first appeared on John D. Cook.  ( 5 min )

The Moon doesn’t orbit the center of the Earth; it orbits the center of mass of the Earth-Moon system, which is inside the Earth. The distinction matters for designing satellite orbits, but it cannot be seen on a plot to scale. We’ll quantify this below. Pluto’s moon Charon, however, is so large relative to Pluto […] The Pluto-Charon orbit first appeared on John D. Cook.  ( 5 min )

The earth’s orbit around the sun is nearly a circle, and the moon’s orbit around the earth is nearly a circle, but what is the shape of the moon’s orbit around the sun? You might expect it to be bumpy, bending inward when the moon is between the earth and the sun and bending output […] Shape of moon orbit around sun first appeared on John D. Cook.  ( 5 min )

In an era where the landscape of business is evolving and changing at a rapid pace, data collection & analysis often operate as pivotal factors in shaping the destiny of each new market segment, whether it be the healthcare sector, decentralized work, an online company like Amazon, an online customer service network, or even an… Read More »​​Top 10 Future Data Analytics Trends in 2023 The post ​​Top 10 Future Data Analytics Trends in 2023 appeared first on Data Science Central.  ( 24 min )

When it comes to reimagining the next generation of automotive, NIO is thinking outside the car. This month, the China-based electric vehicle maker introduced its lineup to four new countries in Europe — Denmark, Germany, the Netherlands and Sweden — along with an innovative subscription-based ownership model. The countries join NIO’s customer base in China Read article > The post Hello, World: NIO Expands Global Footprint With Intelligent Vehicle Experiences appeared first on NVIDIA Blog.  ( 5 min )

NVIDIA and Oracle are teaming to make the power of AI accessible to enterprises across industries. These include healthcare, financial services, automotive and a broad range of natural language processing use cases driven by large language models, such as chatbots, personal assistants, document summarization and article completion. Join NVIDIA and Oracle experts at Oracle CloudWorld, Read article > The post Learn How NVIDIA Advances AI for Enterprises, at Oracle CloudWorld appeared first on NVIDIA Blog.  ( 6 min )

Alien invasions. Gritty dystopian megacities. Battlefields swarming with superheroes. As one of Hollywood’s top concept artists, Drew Leung can visualize any world you can think of, except one where AI takes his job. He would know. He’s spent the past few months trying to make it happen, testing every AI tool he could. “If your Read article > The post Press Art to Continue: New AI Tools Promise Art With the Push of a Button — But Reality Is More Complicated appeared first on NVIDIA Blog.  ( 7 min )

High-end PC gaming arrives on more devices this GFN Thursday. GeForce NOW RTX 3080 members can now stream their favorite PC games at up to 1600p and 120 frames per second in a Chrome browser. No downloads, no installs, just victory. Even better, NVIDIA has worked with Google to support the newest Chromebooks, which are Read article > The post GeForce NOW Streams High-Res, 120-FPS PC Gaming to World’s First Cloud Gaming Chromebooks appeared first on NVIDIA Blog.  ( 6 min )

Posted by Ashish Thapliyal, Software Engineer, and Jordi Pont-Tuset, Research Scientist, Google Research Image captioning is the machine learning task of automatically generating a fluent natural language description for a given image. This task is important for improving accessibility for visually impaired users and is a core task in multimodal research encompassing both vision and language modeling. However, datasets for image captioning are primarily available in English. Beyond that, there are only a few datasets covering a limited number of languages that represent just a small fraction of the world’s population. Further, these datasets feature images that severely under-represent the richness and diversity of cultures from across the globe. These aspects have hindered research on …  ( 29 min )

I'm trying to reconstruct a scene (either in 3d like NeRF or with a birdseye view generated as image). I can train as many different angles, but the inference has to be done with only a few fixed camera angles. So I think I need an algorithm that leverages the relation between the fixed camera angles. So for example a few simple training inputs and the ground truth (target) with only 1 angle: ​ https://preview.redd.it/6gglz30usjt91.png?width=2006&format=png&auto=webp&s=ce1e347d955f0a1ed14260f7afb74760a24bd74f So far I tried using a simple cGAN and a few variations with mild success, but I lack the coding skills and knowledge to optimize those networks or even pick the right hyper parameters. Right now it starts off good but then starts learning weird image artifacts and just doesn't improve anymore. I'm new too machine learning, and I'm trying to write a paper on this for school. This isn't commercial and doesn't have to be perfect, just a learning experience. If anyone can help with this problem, please do. Bonus: If anyone is interested in giving me a few tips on how to "fine" tune (honestly just any optimization) my models, pls tell me. submitted by /u/alexho66 [link] [comments]  ( 112 min )

Could someone please show me a couple of good resources on LSTMs vs. Transformers? There are lots of short articles that discuss this without any references, and at the moment I do not have enough time to read a few academic text books, so I wonder if there are a couple of reliable resources for a little review of these two networks. submitted by /u/DinaMosharraf [link] [comments]  ( 108 min )

Why are policy-based networks more effective than values-based networks when it comes to non-stationary data? submitted by /u/clarky103 [link] [comments]  ( 121 min )

Hello guys. I have a graph problem for which I would like to use reinforcement learning to solve. The inputs size of the Graph varies.So I think it makes sense to use GNNs here. I couldn’t find any implementations of GNNs as feature extractors. Are there any .? If not do you guys think it is possible to do in stablebaselines3 within few hrs. I consider my self not too bad in python. submitted by /u/magnusvegeta [link] [comments]  ( 121 min )

To act safely and ethically in the real world, agents must be able to reason about harm and avoid harmful actions. However, to date there is no statistical method for measuring harm and factoring it into algorithmic decisions. In this paper we propose the first formal definition of harm and benefit using causal models. We show that any factual definition of harm must violate basic intuitions in certain scenarios, and show that standard machine learning algorithms that cannot perform counterfactual reasoning are guaranteed to pursue harmful policies following distributional shifts. We use our definition of harm to devise a framework for harm-averse decision making using counterfactual objective functions. We demonstrate this framework on the problem of identifying optimal drug doses using a dose-response model learned from randomized control trial data. We find that the standard method of selecting doses using treatment effects results in unnecessarily harmful doses, while our counterfactual approach allows us to identify doses that are significantly less harmful without sacrificing efficacy.  ( 2 min )

In humans and animals, curriculum learning -- presenting data in a curated order - is critical to rapid learning and effective pedagogy. Yet in machine learning, curricula are not widely used and empirically often yield only moderate benefits. This stark difference in the importance of curriculum raises a fundamental theoretical question: when and why does curriculum learning help? In this work, we analyse a prototypical neural network model of curriculum learning in the high-dimensional limit, employing statistical physics methods. Curricula could in principle change both the learning speed and asymptotic performance of a model. To study the former, we provide an exact description of the online learning setting, confirming the long-standing experimental observation that curricula can modestly speed up learning. To study the latter, we derive performance in a batch learning setting, in which a network trains to convergence in successive phases of learning on dataset slices of varying difficulty. With standard training losses, curriculum does not provide generalisation benefit, in line with empirical observations. However, we show that by connecting different learning phases through simple Gaussian priors, curriculum can yield a large improvement in test performance. Taken together, our reduced analytical descriptions help reconcile apparently conflicting empirical results and trace regimes where curriculum learning yields the largest gains. More broadly, our results suggest that fully exploiting a curriculum may require explicit changes to the loss function at curriculum boundaries.  ( 3 min )

Super-resolving medical images can help physicians in providing more accurate diagnostics. In many situations, computed tomography (CT) or magnetic resonance imaging (MRI) techniques capture several scans (modes) during a single investigation, which can jointly be used (in a multimodal fashion) to further boost the quality of super-resolution results. To this end, we propose a novel multimodal multi-head convolutional attention module to super-resolve CT and MRI scans. Our attention module uses the convolution operation to perform joint spatial-channel attention on multiple concatenated input tensors, where the kernel (receptive field) size controls the reduction rate of the spatial attention, and the number of convolutional filters controls the reduction rate of the channel attention, respectively. We introduce multiple attention heads, each head having a distinct receptive field size corresponding to a particular reduction rate for the spatial attention. We integrate our multimodal multi-head convolutional attention (MMHCA) into two deep neural architectures for super-resolution and conduct experiments on three data sets. Our empirical results show the superiority of our attention module over the state-of-the-art attention mechanisms used in super-resolution. Moreover, we conduct an ablation study to assess the impact of the components involved in our attention module, e.g. the number of inputs or the number of heads. Our code is freely available at https://github.com/lilygeorgescu/MHCA.  ( 3 min )

The pricing of housing properties is determined by a variety of factors. However, post-pandemic markets have experienced volatility in the Chicago suburb area, which have affected house prices greatly. In this study, analysis was done on the Naperville/Bolingbrook real estate market to predict property prices based on these housing attributes through machine learning models, and to evaluate the effectiveness of such models in a volatile market space. Gathering data from Redfin, a real estate website, sales data from 2018 up until the summer season of 2022 were collected for research. By analyzing these sales in this range of time, we can also look at the state of the housing market and identify trends in price. For modeling the data, the models used were linear regression, support vector regression, decision tree regression, random forest regression, and XGBoost regression. To analyze results, comparison was made on the MAE, RMSE, and R-squared values for each model. It was found that the XGBoost model performs the best in predicting house prices despite the additional volatility sponsored by post-pandemic conditions. After modeling, Shapley Values (SHAP) were used to evaluate the weights of the variables in constructing models.  ( 2 min )

We introduce the Variational Open-Domain (VOD) framework for end-to-end training and evaluation of retrieval-augmented models (open-domain question answering and language modelling). We show that the R\'enyi variational bound, a lower bound to the task marginal likelihood, can be exploited to aid optimization and use importance sampling to estimate the task log-likelihood lower bound and its gradients using samples drawn from an auxiliary retriever (approximate posterior). The framework can be used to train modern retrieval-augmented systems end-to-end using tractable and consistent estimates of the R\'enyi variational bound and its gradients. We demonstrate the framework's versatility by training reader-retriever BERT-based models on multiple-choice medical exam questions (MedMCQA and USMLE). We registered a new state-of-the-art for both datasets (MedMCQA: $62.9$\%, USMLE: $55.0$\%). Last, we show that the retriever part of the learned reader-retriever model trained on the medical board exam questions can be used in search engines for a medical knowledge base.  ( 2 min )

Policy evaluation based on A/B testing has attracted considerable interest in digital marketing, but such evaluation in ride-sourcing platforms (e.g., Uber and Didi) is not well studied primarily due to the complex structure of their temporal and/or spatial dependent experiments. Motivated by policy evaluation in ride-sourcing platforms, the aim of this paper is to establish causal relationship between platform's policies and outcomes of interest under a switchback design. We propose a novel potential outcome framework based on a temporal varying coefficient decision process (VCDP) model to capture the dynamic treatment effects in temporal dependent experiments. We further characterize the average treatment effect by decomposing it as the sum of direct effect (DE) and indirect effect (IE). We develop estimation and inference procedures for both DE and IE. Furthermore, we propose a spatio-temporal VCDP to deal with spatiotemporal dependent experiments. For both VCDP models, we establish the statistical properties (e.g., weak convergence and asymptotic power) of our estimation and inference procedures. We conduct extensive simulations to investigate the finite-sample performance of the proposed estimation and inference procedures. We examine how our VCDP models can help improve policy evaluation for various dispatching and dispositioning policies in Didi.  ( 3 min )

We study training of Graph Neural Networks (GNNs) for large-scale graphs. We revisit the premise of using distributed training for billion-scale graphs and show that for graphs that fit in main memory or the SSD of a single machine, out-of-core pipelined training with a single GPU can outperform state-of-the-art (SoTA) multi-GPU solutions. We introduce MariusGNN, the first system that utilizes the entire storage hierarchy -- including disk -- for GNN training. MariusGNN introduces a series of data organization and algorithmic contributions that 1) minimize the end-to-end time required for training and 2) ensure that models learned with disk-based training exhibit accuracy similar to those fully trained in memory. We evaluate MariusGNN against SoTA systems for learning GNN models and find that single-GPU training in MariusGNN achieves the same level of accuracy up to 8x faster than multi-GPU training in these systems, thus, introducing an order of magnitude monetary cost reduction. MariusGNN is open-sourced at www.marius-project.org.

In this work, we propose a fully differentiable graph neural network (GNN)-based architecture for channel decoding and showcase a competitive decoding performance for various coding schemes, such as low-density parity-check (LDPC) and BCH codes. The idea is to let a neural network (NN) learn a generalized message passing algorithm over a given graph that represents the forward error correction (FEC) code structure by replacing node and edge message updates with trainable functions. Contrary to many other deep learning-based decoding approaches, the proposed solution enjoys scalability to arbitrary block lengths and the training is not limited by the curse of dimensionality. We benchmark our proposed decoder against state-of-the-art in conventional channel decoding as well as against recent deep learning-based results. For the (63,45) BCH code, our solution outperforms weighted belief propagation (BP) decoding by approximately 0.4 dB with significantly less decoding iterations and even for 5G NR LDPC codes, we observe a competitive performance when compared to conventional BP decoding. For the BCH codes, the resulting GNN decoder can be fully parametrized with only 9640 weights.

We study the problem of estimating an unknown function from noisy data using shallow ReLU neural networks. The estimators we study minimize the sum of squared data-fitting errors plus a regularization term proportional to the squared Euclidean norm of the network weights. This minimization corresponds to the common approach of training a neural network with weight decay. We quantify the performance (mean-squared error) of these neural network estimators when the data-generating function belongs to the second-order Radon-domain bounded variation space. This space of functions was recently proposed as the natural function space associated with shallow ReLU neural networks. We derive a minimax lower bound for the estimation problem for this function space and show that the neural network estimators are minimax optimal up to logarithmic factors. This minimax rate is immune to the curse of dimensionality. We quantify an explicit gap between neural networks and linear methods (which include kernel methods) by deriving a linear minimax lower bound for the estimation problem, showing that linear methods necessarily suffer the curse of dimensionality in this function space. As a result, this paper sheds light on the phenomenon that neural networks seem to break the curse of dimensionality.

Generative flow networks (GFlowNets) are a method for learning a stochastic policy for generating compositional objects, such as graphs or strings, from a given unnormalized density by sequences of actions, where many possible action sequences may lead to the same object. We find previously proposed learning objectives for GFlowNets, flow matching and detailed balance, which are analogous to temporal difference learning, to be prone to inefficient credit propagation across long action sequences. We thus propose a new learning objective for GFlowNets, trajectory balance, as a more efficient alternative to previously used objectives. We prove that any global minimizer of the trajectory balance objective can define a policy that samples exactly from the target distribution. In experiments on four distinct domains, we empirically demonstrate the benefits of the trajectory balance objective for GFlowNet convergence, diversity of generated samples, and robustness to long action sequences and large action spaces.

Topological features based on persistent homology capture high-order structural information so as to augment graph neural network methods. However, computing extended persistent homology summaries remains slow for large and dense graphs and can be a serious bottleneck for the learning pipeline. Inspired by recent success in neural algorithmic reasoning, we propose a novel graph neural network to estimate extended persistence diagrams (EPDs) on graphs efficiently. Our model is built on algorithmic insights, and benefits from better supervision and closer alignment with the EPD computation algorithm. We validate our method with convincing empirical results on approximating EPDs and downstream graph representation learning tasks. Our method is also efficient; on large and dense graphs, we accelerate the computation by nearly 100 times.  ( 2 min )

We study a constructive algorithm that approximates Gateaux derivatives for statistical functionals by finite-differencing, with a focus on causal inference functionals. We consider the case where probability distributions are not known a priori but also need to be estimated from data. These estimated distributions lead to empirical Gateaux derivatives, and we study the relationships between empirical, numerical, and analytical Gateaux derivatives. Starting with a case study of estimating the mean potential outcome (hence average treatment effect), we instantiate the exact relationship between finite-differences and the analytical Gateaux derivative. We then derive requirements on the rates of numerical approximation in perturbation and smoothing that preserve the statistical benefits of one-step adjustments, such as rate-double-robustness. We then study more complicated functionals such as dynamic treatment regimes and the linear-programming formulation for policy optimization in infinite-horizon Markov decision processes. The newfound ability to approximate bias adjustments in the presence of arbitrary constraints illustrates the usefulness of constructive approaches for Gateaux derivatives. We also find that the statistical structure of the functional (rate-double robustness) can permit less conservative rates of finite-difference approximation. This property, however, can be specific to particular functionals, e.g. it occurs for the mean potential outcome (hence average treatment effect) but not the infinite-horizon MDP policy value.

Inspired by the great success of unsupervised learning in Computer Vision and Natural Language Processing, the Reinforcement Learning community has recently started to focus more on unsupervised discovery of skills. Most current approaches, like DIAYN or DADS, optimize some form of mutual information objective. We propose a different approach that uses reward functions encoded by neural networks. These are trained iteratively to reward more complex behavior. In high-dimensional robotic environments our approach learns a wide range of interesting skills including front-flips for Half-Cheetah and one-legged running for Humanoid. In the pixel-based Montezuma's Revenge environment our method also works with minimal changes and it learns complex skills that involve interacting with items and visiting diverse locations. The implementation of our approach can be found in this link: https://github.com/amujika/Open-Ended-Reinforcement-Learning-with-Neural-Reward-Functions.

Recent progress in reinforcement learning (RL) has started producing generally capable agents that can solve a distribution of complex environments. These agents are typically tested on fixed, human-authored environments. On the other hand, quality diversity (QD) optimization has been proven to be an effective component of environment generation algorithms, which can generate collections of high-quality environments that are diverse in the resulting agent behaviors. However, these algorithms require potentially expensive simulations of agents on newly generated environments. We propose Deep Surrogate Assisted Generation of Environments (DSAGE), a sample-efficient QD environment generation algorithm that maintains a deep surrogate model for predicting agent behaviors in new environments. Results in two benchmark domains show that DSAGE significantly outperforms existing QD environment generation algorithms in discovering collections of environments that elicit diverse behaviors of a state-of-the-art RL agent and a planning agent. Our source code and videos are available at https://dsagepaper.github.io/.

Variational autoencoders (VAEs) are latent variable models that can generate complex objects and provide meaningful latent representations. Moreover, they could be further used in downstream tasks such as classification. As previous work has shown, one can easily fool VAEs to produce unexpected latent representations and reconstructions for a visually slightly modified input. Here, we examine several objective functions for adversarial attack construction proposed previously and present a solution to alleviate the effect of these attacks. Our method utilizes the Markov Chain Monte Carlo (MCMC) technique in the inference step that we motivate with a theoretical analysis. Thus, we do not incorporate any extra costs during training, and the performance on non-attacked inputs is not decreased. We validate our approach on a variety of datasets (MNIST, Fashion MNIST, Color MNIST, CelebA) and VAE configurations ($\beta$-VAE, NVAE, $\beta$-TCVAE), and show that our approach consistently improves the model robustness to adversarial attacks.

Electroencephalograms (EEGs) are brain dynamics measured outside the brain, which have been widely utilized in non-invasive brain-computer interface applications. Recently, various neural network approaches have been proposed to improve the accuracy of EEG signal recognition. However, these approaches severely rely on manually designed network structures for different tasks which generally are not sharing the same empirical design cross-task-wise. In this paper, we propose a cross-task neural architecture search (CTNAS-EEG) framework for EEG signal recognition, which can automatically design the network structure across tasks and improve the recognition accuracy of EEG signals. Specifically, a compatible search space for cross-task searching and an efficient constrained searching method is proposed to overcome challenges brought by EEG signals. By unifying structure search on different EEG tasks, this work is the first to explore and analyze the searched structure difference cross-task-wise. Moreover, by introducing architecture search, this work is the first to analyze model performance by customizing model structure for each human subject. Detailed experimental results suggest that the proposed CTNAS-EEG could reach state-of-the-art performance on different EEG tasks, such as Motor Imagery (MI) and Emotion recognition. Extensive experiments and detailed analysis are provided as a good reference for follow-up researchers.

Simulating the time evolution of Partial Differential Equations (PDEs) of large-scale systems is crucial in many scientific and engineering domains such as fluid dynamics, weather forecasting and their inverse optimization problems. However, both classical solvers and recent deep learning-based surrogate models are typically extremely computationally intensive, because of their local evolution: they need to update the state of each discretized cell at each time step during inference. Here we develop Latent Evolution of PDEs (LE-PDE), a simple, fast and scalable method to accelerate the simulation and inverse optimization of PDEs. LE-PDE learns a compact, global representation of the system and efficiently evolves it fully in the latent space with learned latent evolution models. LE-PDE achieves speed-up by having a much smaller latent dimension to update during long rollout as compared to updating in the input space. We introduce new learning objectives to effectively learn such latent dynamics to ensure long-term stability. We further introduce techniques for speeding-up inverse optimization of boundary conditions for PDEs via backpropagation through time in latent space, and an annealing technique to address the non-differentiability and sparse interaction of boundary conditions. We test our method in a 1D benchmark of nonlinear PDEs, 2D Navier-Stokes flows into turbulent phase and an inverse optimization of boundary conditions in 2D Navier-Stokes flow. Compared to state-of-the-art deep learning-based surrogate models and other strong baselines, we demonstrate up to 128x reduction in the dimensions to update, and up to 15x improvement in speed, while achieving competitive accuracy.

There has been significant progress in developing reinforcement learning (RL) training systems. Past works such as IMPALA, Apex, Seed RL, Sample Factory, and others, aim to improve the system's overall throughput. In this paper, we aim to address a common bottleneck in the RL training system, i.e., parallel environment execution, which is often the slowest part of the whole system but receives little attention. With a curated design for paralleling RL environments, we have improved the RL environment simulation speed across different hardware setups, ranging from a laptop and a modest workstation, to a high-end machine such as NVIDIA DGX-A100. On a high-end machine, EnvPool achieves one million frames per second for the environment execution on Atari environments and three million frames per second on MuJoCo environments. When running EnvPool on a laptop, the speed is 2.8x that of the Python subprocess. Moreover, great compatibility with existing RL training libraries has been demonstrated in the open-sourced community, including CleanRL, rl_games, DeepMind Acme, etc. Finally, EnvPool allows researchers to iterate their ideas at a much faster pace and has great potential to become the de facto RL environment execution engine. Example runs show that it only takes five minutes to train agents to play Atari Pong and MuJoCo Ant on a laptop. EnvPool is open-sourced at https://github.com/sail-sg/envpool.

Neural networks can be trained to solve partial differential equations (PDEs) by using the PDE residual as the loss function. This strategy is called "physics-informed neural networks" (PINNs), but it currently cannot produce high-accuracy solutions, typically attaining about $0.1\%$ relative error. We present an adversarial approach that overcomes this limitation, which we call competitive PINNs (CPINNs). CPINNs train a discriminator that is rewarded for predicting mistakes the PINN makes. The discriminator and PINN participate in a zero-sum game with the exact PDE solution as an optimal strategy. This approach avoids squaring the large condition numbers of PDE discretizations, which is the likely reason for failures of previous attempts to decrease PINN errors even on benign problems. Numerical experiments on a Poisson problem show that CPINNs achieve errors four orders of magnitude smaller than the best-performing PINN. We observe relative errors on the order of single-precision accuracy, consistently decreasing with each epoch. To the authors' knowledge, this is the first time this level of accuracy and convergence behavior has been achieved. Additional experiments on the nonlinear Schr\"odinger, Burgers', and Allen-Cahn equation show that the benefits of CPINNs are not limited to linear problems.

Large neural network models are commonly trained through a combination of advanced parallelism strategies in a single program, multiple data (SPMD) paradigm. For example, training large transformer models requires combining data, model, and pipeline partitioning; and optimizer sharding techniques. However, identifying efficient combinations for many model architectures and accelerator systems requires significant manual analysis. In this work, we present an automatic partitioner that identifies these combinations through a goal-oriented search. Our key findings are that a Monte Carlo Tree Search-based partitioner leveraging partition-specific compiler analysis directly into the search and guided goals matches expert-level strategies for various models.

Amid mounting concern about the reliability and credibility of machine learning research, we present a principled framework for making robust and generalizable claims: the multiverse analysis. Our framework builds upon the multiverse analysis (Steegen et al., 2016) introduced in response to psychology's own reproducibility crisis. To efficiently explore high-dimensional and often continuous ML search spaces, we model the multiverse with a Gaussian Process surrogate and apply Bayesian experimental design. Our framework is designed to facilitate drawing robust scientific conclusions about model performance, and thus our approach focuses on exploration rather than conventional optimization. In the first of two case studies, we investigate disputed claims about the relative merit of adaptive optimizers. Second, we synthesize conflicting research on the effect of learning rate on the large batch training generalization gap. For the machine learning community, the multiverse analysis is a simple and effective technique for identifying robust claims, for increasing transparency, and a step toward improved reproducibility.

Few-shot learning (FSL) has attracted considerable attention recently. Among existing approaches, the metric-based method aims to train an embedding network that can make similar samples close while dissimilar samples as far as possible and achieves promising results. FSL is characterized by using only a few images to train a model that can generalize to novel classes in image classification problems, but this setting makes it difficult to learn the visual features that can identify the images' appearance variations. The model training is likely to move in the wrong direction, as the images in an identical semantic class may have dissimilar appearances, whereas the images in different semantic classes may share a similar appearance. We argue that FSL can benefit from additional semantic features to learn discriminative feature representations. Thus, this study proposes a multi-task learning approach to view semantic features of label text as an auxiliary task to help boost the performance of the FSL task. Our proposed model uses word-embedding representations as semantic features to help train the embedding network and a semantic cross-attention module to bridge the semantic features into the typical visual modal. The proposed approach is simple, but produces excellent results. We apply our proposed approach to two previous metric-based FSL methods, all of which can substantially improve performance. The source code for our model is accessible from github.  ( 3 min )

We present GLIPv2, a grounded VL understanding model, that serves both localization tasks (e.g., object detection, instance segmentation) and Vision-Language (VL) understanding tasks (e.g., VQA, image captioning). GLIPv2 elegantly unifies localization pre-training and Vision-Language Pre-training (VLP) with three pre-training tasks: phrase grounding as a VL reformulation of the detection task, region-word contrastive learning as a novel region-word level contrastive learning task, and the masked language modeling. This unification not only simplifies the previous multi-stage VLP procedure but also achieves mutual benefits between localization and understanding tasks. Experimental results show that a single GLIPv2 model (all model weights are shared) achieves near SoTA performance on various localization and understanding tasks. The model also shows (1) strong zero-shot and few-shot adaption performance on open-vocabulary object detection tasks and (2) superior grounding capability on VL understanding tasks. Code will be released at https://github.com/microsoft/GLIP.

We propose and analyze a reinforcement learning principle that approximates the Bellman equations by enforcing their validity only along an user-defined space of test functions. Focusing on applications to model-free offline RL with function approximation, we exploit this principle to derive confidence intervals for off-policy evaluation, as well as to optimize over policies within a prescribed policy class. We prove an oracle inequality on our policy optimization procedure in terms of a trade-off between the value and uncertainty of an arbitrary comparator policy. Different choices of test function spaces allow us to tackle different problems within a common framework. We characterize the loss of efficiency in moving from on-policy to off-policy data using our procedures, and establish connections to concentrability coefficients studied in past work. We examine in depth the implementation of our methods with linear function approximation, and provide theoretical guarantees with polynomial-time implementations even when Bellman closure does not hold.

We consider streaming principal component analysis when the stochastic data-generating model is subject to perturbations. While existing models assume a fixed covariance, we adopt a robust perspective where the covariance matrix belongs to a temporal uncertainty set. Under this setting, we provide fundamental limits on convergence of any algorithm recovering principal components. We analyze the convergence of the noisy power method and Oja's algorithm, both studied for the stationary data generating model, and argue that the noisy power method is rate-optimal in our setting. Finally, we demonstrate the validity of our analysis through numerical experiments on synthetic and real-world dataset.  ( 2 min )

Test-time adaptation (TTA) is an emerging paradigm that addresses distributional shifts between training and testing phases without additional data acquisition or labeling cost; only unlabeled test data streams are used for continual model adaptation. Previous TTA schemes assume that the test samples are independent and identically distributed (i.i.d.), even though they are often temporally correlated (non-i.i.d.) in application scenarios, e.g., autonomous driving. We discover that most existing TTA methods fail dramatically under such scenarios. Motivated by this, we present a new test-time adaptation scheme that is robust against non-i.i.d. test data streams. Our novelty is mainly two-fold: (a) Instance-Aware Batch Normalization (IABN) that corrects normalization for out-of-distribution samples, and (b) Prediction-balanced Reservoir Sampling (PBRS) that simulates i.i.d. data stream from non-i.i.d. stream in a class-balanced manner. Our evaluation with various datasets, including real-world non-i.i.d. streams, demonstrates that the proposed robust TTA not only outperforms state-of-the-art TTA algorithms in the non-i.i.d. setting, but also achieves comparable performance to those algorithms under the i.i.d. assumption. Code is available at https://github.com/TaesikGong/NOTE.

Open-vocabulary models like CLIP achieve high accuracy across many image classification tasks. However, there are still settings where their zero-shot performance is far from optimal. We study model patching, where the goal is to improve accuracy on specific tasks without degrading accuracy on tasks where performance is already adequate. Towards this goal, we introduce PAINT, a patching method that uses interpolations between the weights of a model before fine-tuning and the weights after fine-tuning on a task to be patched. On nine tasks where zero-shot CLIP performs poorly, PAINT increases accuracy by 15 to 60 percentage points while preserving accuracy on ImageNet within one percentage point of the zero-shot model. PAINT also allows a single model to be patched on multiple tasks and improves with model scale. Furthermore, we identify cases of broad transfer, where patching on one task increases accuracy on other tasks even when the tasks have disjoint classes. Finally, we investigate applications beyond common benchmarks such as counting or reducing the impact of typographic attacks on CLIP. Our findings demonstrate that it is possible to expand the set of tasks on which open-vocabulary models achieve high accuracy without re-training them from scratch.

We show that Contrastive Learning (CL) under a broad family of loss functions (including InfoNCE) has a unified formulation of coordinate-wise optimization on the network parameter $\boldsymbol{\theta}$ and pairwise importance $\alpha$, where the \emph{max player} $\boldsymbol{\theta}$ learns representation for contrastiveness, and the \emph{min player} $\alpha$ puts more weights on pairs of distinct samples that share similar representations. The resulting formulation, called $\alpha$-CL, unifies not only various existing contrastive losses, which differ by how sample-pair importance $\alpha$ is constructed, but also is able to extrapolate to give novel contrastive losses beyond popular ones, opening a new avenue of contrastive loss design. These novel losses yield comparable (or better) performance on CIFAR10, STL-10 and CIFAR-100 than classic InfoNCE. Furthermore, we also analyze the max player in detail: we prove that with fixed $\alpha$, max player is equivalent to Principal Component Analysis (PCA) for deep linear network, and almost all local minima are global and rank-1, recovering optimal PCA solutions. Finally, we extend our analysis on max player to 2-layer ReLU networks, showing that its fixed points can have higher ranks.  ( 3 min )

In recent centralized nonconvex distributed learning and federated learning, local methods are one of the promising approaches to reduce communication time. However, existing work has mainly focused on studying first-order optimality guarantees. On the other side, second-order optimality guaranteed algorithms, i.e., algorithms escaping saddle points, have been extensively studied in the non-distributed optimization literature. In this paper, we study a new local algorithm called Bias-Variance Reduced Local Perturbed SGD (BVR-L-PSGD), that combines the existing bias-variance reduced gradient estimator with parameter perturbation to find second-order optimal points in centralized nonconvex distributed optimization. BVR-L-PSGD enjoys second-order optimality with nearly the same communication complexity as the best known one of BVR-L-SGD to find first-order optimality. Particularly, the communication complexity is better than non-local methods when the local datasets heterogeneity is smaller than the smoothness of the local loss. In an extreme case, the communication complexity approaches to $\widetilde \Theta(1)$ when the local datasets heterogeneity goes to zero. Numerical results validate our theoretical findings.

In risk-averse reinforcement learning (RL), the goal is to optimize some risk measure of the returns. A risk measure often focuses on the worst returns out of the agent's experience. As a result, standard methods for risk-averse RL often ignore high-return strategies. We prove that under certain conditions this inevitably leads to a local-optimum barrier, and propose a soft risk mechanism to bypass it. We also devise a novel Cross Entropy module for risk sampling, which (1) preserves risk aversion despite the soft risk; (2) independently improves sample efficiency. By separating the risk aversion of the sampler and the optimizer, we can sample episodes with poor conditions, yet optimize with respect to successful strategies. We combine these two concepts in CeSoR - Cross-entropy Soft-Risk optimization algorithm - which can be applied on top of any risk-averse policy gradient (PG) method. We demonstrate improved risk aversion in maze navigation, autonomous driving, and resource allocation benchmarks, including in scenarios where standard risk-averse PG completely fails.

We study the linear contextual bandit problem where an agent has to select one candidate from a pool and each candidate belongs to a sensitive group. In this setting, candidates' rewards may not be directly comparable between groups, for example when the agent is an employer hiring candidates from different ethnic groups and some groups have a lower reward due to discriminatory bias and/or social injustice. We propose a notion of fairness that states that the agent's policy is fair when it selects a candidate with highest relative rank, which measures how good the reward is when compared to candidates from the same group. This is a very strong notion of fairness, since the relative rank is not directly observed by the agent and depends on the underlying reward model and on the distribution of rewards. Thus we study the problem of learning a policy which approximates a fair policy under the condition that the contexts are independent between groups and the distribution of rewards of each group is absolutely continuous. In particular, we design a greedy policy which at each round constructs a ridge regression estimate from the observed context-reward pairs, and then computes an estimate of the relative rank of each candidate using the empirical cumulative distribution function. We prove that, despite its simplicity and the lack of an initial exploration phase, the greedy policy achieves, up to log factors and with high probability, a fair pseudo-regret of order $\sqrt{dT}$ after $T$ rounds, where $d$ is the dimension of the context vectors. The policy also satisfies demographic parity at each round when averaged over all possible information available before the selection. Finally, we use simulated settings and experiments on the US census data to show that our policy achieves sub-linear fair pseudo-regret also in practice.

The stochastic multi-armed bandit setting has been recently studied in the non-stationary regime, where the mean payoff of each action is a non-decreasing function of the number of rounds passed since it was last played. This model captures natural behavioral aspects of the users which crucially determine the performance of recommendation platforms, ad placement systems, and more. Even assuming prior knowledge of the mean payoff functions, computing an optimal planning in the above model is NP-hard, while the state-of-the-art is a $1/4$-approximation algorithm for the case where at most one arm can be played per round. We first focus on the setting where the mean payoff functions are known. In this setting, we significantly improve the best-known guarantees for the planning problem by developing a polynomial-time $(1-{1}/{e})$-approximation algorithm (asymptotically and in expectation), based on a novel combination of randomized LP rounding and a time-correlated (interleaved) scheduling method. Furthermore, our algorithm achieves improved guarantees -- compared to prior work -- for the case where more than one arm can be played at each round. Moving to the bandit setting, when the mean payoff functions are initially unknown, we show how our algorithm can be transformed into a bandit algorithm with sublinear regret.

A compositional understanding of the world in terms of objects and their geometry in 3D space is considered a cornerstone of human cognition. Facilitating the learning of such a representation in neural networks holds promise for substantially improving labeled data efficiency. As a key step in this direction, we make progress on the problem of learning 3D-consistent decompositions of complex scenes into individual objects in an unsupervised fashion. We introduce Object Scene Representation Transformer (OSRT), a 3D-centric model in which individual object representations naturally emerge through novel view synthesis. OSRT scales to significantly more complex scenes with larger diversity of objects and backgrounds than existing methods. At the same time, it is multiple orders of magnitude faster at compositional rendering thanks to its light field parametrization and the novel Slot Mixer decoder. We believe this work will not only accelerate future architecture exploration and scaling efforts, but it will also serve as a useful tool for both object-centric as well as neural scene representation learning communities.

Machine sound classification has been one of the fundamental tasks of music technology. A major branch of sound classification is the classification of music genres. However, though covering most genres of music, existing music genre datasets often do not contain fine-grained labels that indicate the detailed sub-genres of music. In consideration of the consistency of genres of songs in a mixtape or in a DJ (live) set, we have collected and annotated a dataset of house music that provide 4 sub-genre labels, namely future house, bass house, progressive house and melodic house. Experiments show that our annotations well exhibit the characteristics of different categories. Also, we have built baseline models that classify the sub-genre based on the mel-spectrograms of a track, achieving strongly competitive results. Besides, we have put forward a few application scenarios of our dataset and baseline model, with a simulated sci-fi tunnel as a short demo built and rendered in a 3D modeling software, with the colors of the lights automated by the output of our model.

It is widely believed that the success of deep networks lies in their ability to learn a meaningful representation of the features of the data. Yet, understanding when and how this feature learning improves performance remains a challenge: for example, it is beneficial for modern architectures trained to classify images, whereas it is detrimental for fully-connected networks trained for the same task on the same data. Here we propose an explanation for this puzzle, by showing that feature learning can perform worse than lazy training (via random feature kernel or the NTK) as the former can lead to a sparser neural representation. Although sparsity is known to be essential for learning anisotropic data, it is detrimental when the target function is constant or smooth along certain directions of input space. We illustrate this phenomenon in two settings: (i) regression of Gaussian random functions on the d-dimensional unit sphere and (ii) classification of benchmark datasets of images. For (i), we compute the scaling of the generalization error with number of training points, and show that methods that do not learn features generalize better, even when the dimension of the input space is large. For (ii), we show empirically that learning features can indeed lead to sparse and thereby less smooth representations of the image predictors. This fact is plausibly responsible for deteriorating the performance, which is known to be correlated with smoothness along diffeomorphisms.

Meta-Learning has emerged as a research direction to better transfer knowledge from related tasks to unseen but related tasks. However, Meta-Learning requires many training tasks to learn representations that transfer well to unseen tasks; otherwise, it leads to overfitting, and the performance degenerates to worse than Multi-task Learning. We show that a state-of-the-art data augmentation method worsens this problem of overfitting when the task diversity is low. We propose a simple method, TaskMix, which synthesizes new tasks by linearly interpolating existing tasks. We compare TaskMix against many baselines on an in-house multilingual intent classification dataset of N-Best ASR hypotheses derived from real-life human-machine telephony utterances and two datasets derived from MTOP. We show that TaskMix outperforms baselines, alleviates overfitting when task diversity is low, and does not degrade performance even when it is high.

Modern deep neural networks for classification usually jointly learn a backbone for representation and a linear classifier to output the logit of each class. A recent study has shown a phenomenon called neural collapse that the within-class means of features and the classifier vectors converge to the vertices of a simplex equiangular tight frame (ETF) at the terminal phase of training on a balanced dataset. Since the ETF geometric structure maximally separates the pair-wise angles of all classes in the classifier, it is natural to raise the question, why do we spend an effort to learn a classifier when we know its optimal geometric structure? In this paper, we study the potential of learning a neural network for classification with the classifier randomly initialized as an ETF and fixed during training. Our analytical work based on the layer-peeled model indicates that the feature learning with a fixed ETF classifier naturally leads to the neural collapse state even when the dataset is imbalanced among classes. We further show that in this case the cross entropy (CE) loss is not necessary and can be replaced by a simple squared loss that shares the same global optimality but enjoys a better convergence property. Our experimental results show that our method is able to bring significant improvements with faster convergence on multiple imbalanced datasets.

Energy-based models, a.k.a. energy networks, perform inference by optimizing an energy function, typically parametrized by a neural network. This allows one to capture potentially complex relationships between inputs and outputs. To learn the parameters of the energy function, the solution to that optimization problem is typically fed into a loss function. The key challenge for training energy networks lies in computing loss gradients, as this typically requires argmin/argmax differentiation. In this paper, building upon a generalized notion of conjugate function, which replaces the usual bilinear pairing with a general energy function, we propose generalized Fenchel-Young losses, a natural loss construction for learning energy networks. Our losses enjoy many desirable properties and their gradients can be computed efficiently without argmin/argmax differentiation. We also prove the calibration of their excess risk in the case of linear-concave energies. We demonstrate our losses on multilabel classification and imitation learning tasks.

We consider a high-dimensional mean estimation problem over a binary hidden Markov model, which illuminates the interplay between memory in data, sample size, dimension, and signal strength in statistical inference. In this model, an estimator observes $n$ samples of a $d$-dimensional parameter vector $\theta_{*}\in\mathbb{R}^{d}$, multiplied by a random sign $ S_i $ ($1\le i\le n$), and corrupted by isotropic standard Gaussian noise. The sequence of signs $\{S_{i}\}_{i\in[n]}\in\{-1,1\}^{n}$ is drawn from a stationary homogeneous Markov chain with flip probability $\delta\in[0,1/2]$. As $\delta$ varies, this model smoothly interpolates two well-studied models: the Gaussian Location Model for which $\delta=0$ and the Gaussian Mixture Model for which $\delta=1/2$. Assuming that the estimator knows $\delta$, we establish a nearly minimax optimal (up to logarithmic factors) estimation error rate, as a function of $\|\theta_{*}\|,\delta,d,n$. We then provide an upper bound to the case of estimating $\delta$, assuming a (possibly inaccurate) knowledge of $\theta_{*}$. The bound is proved to be tight when $\theta_{*}$ is an accurately known constant. These results are then combined to an algorithm which estimates $\theta_{*}$ with $\delta$ unknown a priori, and theoretical guarantees on its error are stated.

While behavior learning has made impressive progress in recent times, it lags behind computer vision and natural language processing due to its inability to leverage large, human-generated datasets. Human behaviors have wide variance, multiple modes, and human demonstrations typically do not come with reward labels. These properties limit the applicability of current methods in Offline RL and Behavioral Cloning to learn from large, pre-collected datasets. In this work, we present Behavior Transformer (BeT), a new technique to model unlabeled demonstration data with multiple modes. BeT retrofits standard transformer architectures with action discretization coupled with a multi-task action correction inspired by offset prediction in object detection. This allows us to leverage the multi-modal modeling ability of modern transformers to predict multi-modal continuous actions. We experimentally evaluate BeT on a variety of robotic manipulation and self-driving behavior datasets. We show that BeT significantly improves over prior state-of-the-art work on solving demonstrated tasks while capturing the major modes present in the pre-collected datasets. Finally, through an extensive ablation study, we analyze the importance of every crucial component in BeT. Videos of behavior generated by BeT are available at https://notmahi.github.io/bet

We study the Unbalanced Optimal Transport (UOT) between two measures of possibly different masses with at most $n$ components, where the marginal constraints of standard Optimal Transport (OT) are relaxed via Kullback-Leibler divergence with regularization factor $\tau$. Although only Sinkhorn-based UOT solvers have been analyzed in the literature with the complexity ${O}\big(\tfrac{\tau n^2 \log(n)}{\varepsilon} \log\big(\tfrac{\log(n)}{{\varepsilon}}\big)\big)$ for achieving the desired error $\varepsilon$, their positively dense output transportation plans strongly hinder the practicality. On the other hand, while being vastly used as heuristics for computing UOT in modern deep learning applications and having shown success in sparse OT problem, gradient methods applied to UOT have not been formally studied. In this paper, we propose a novel algorithm based on Gradient Extrapolation Method (GEM-UOT) to find an $\varepsilon$-approximate solution to the UOT problem in $O\big( \kappa n^2 \log\big(\frac{\tau n}{\varepsilon}\big) \big)$, where $\kappa$ is the condition number depending on only the two input measures. Our proof technique is based on a novel dual formulation of the squared $\ell_2$-norm UOT objective, which fills the lack of sparse UOT literature and also leads to a new characterization of approximation error between UOT and OT. To this end, we further present a novel approach of OT retrieval from UOT, which is based on GEM-UOT with fine tuned $\tau$ and a post-process projection step. Extensive experiments on synthetic and real datasets validate our theories and demonstrate the favorable performance of our methods in practice. We showcase GEM-UOT on the task of color transfer in terms of both the quality of the transfer image and the sparsity of the transportation plan.

Advanced deep neural networks (DNNs), designed by either human or AutoML algorithms, are growing increasingly complex. Diverse operations are connected by complicated connectivity patterns, e.g., various types of skip connections. Those topological compositions are empirically effective and observed to smooth the loss landscape and facilitate the gradient flow in general. However, it remains elusive to derive any principled understanding of their effects on the DNN capacity or trainability, and to understand why or in which aspect one specific connectivity pattern is better than another. In this work, we theoretically characterize the impact of connectivity patterns on the convergence of DNNs under gradient descent training in fine granularity. By analyzing a wide network's Neural Network Gaussian Process (NNGP), we are able to depict how the spectrum of an NNGP kernel propagates through a particular connectivity pattern, and how that affects the bound of convergence rates. As one practical implication of our results, we show that by a simple filtration on "unpromising" connectivity patterns, we can trim down the number of models to evaluate, and significantly accelerate the large-scale neural architecture search without any overhead. Code is available at: https://github.com/VITA-Group/architecture_convergence.

We propose methods for density estimation and data synthesis using a novel form of unsupervised random forests. Inspired by generative adversarial networks, we implement a recursive procedure in which trees gradually learn structural properties of the data through alternating rounds of generation and discrimination. The method is provably consistent under minimal assumptions. Unlike existing tree-based alternatives, our approach provides smooth unconditional densities and allows for fully synthetic data generation. We achieve comparable or superior performance to state-of-the-art deep learning models on various tabular data benchmarks while executing about two orders of magnitude faster on average. All algorithms are implemented in easy-to-use $\texttt{R}$ and Python packages.

Learning the underlying equation from data is a fundamental problem in many disciplines. Recent advances rely on Neural Networks (NNs) but do not provide theoretical guarantees in obtaining the exact equations owing to the non-convexity of NNs. In this paper, we propose Convex Neural Symbolic Learning (CoNSoLe) to seek convexity under mild conditions. The main idea is to decompose the recovering process into two steps and convexify each step. In the first step of searching for right symbols, we convexify the deep Q-learning. The key is to maintain double convexity for both the negative Q-function and the negative reward function in each iteration, leading to provable convexity of the negative optimal Q function to learn the true symbol connections. Conditioned on the exact searching result, we construct a Locally Convex equation Learner (LoCaL) neural network to convexify the estimation of symbol coefficients. With such a design, we quantify a large region with strict convexity in the loss surface of LoCaL for commonly used physical functions. Finally, we demonstrate the superior performance of the CoNSoLe framework over the state-of-the-art on a diverse set of datasets.

We study the problem of learning an adversarially robust predictor to test time attacks in the semi-supervised PAC model. We address the question of how many labeled and unlabeled examples are required to ensure learning. We show that having enough unlabeled data (the size of a labeled sample that a fully-supervised method would require), the labeled sample complexity can be arbitrarily smaller compared to previous works, and is sharply characterized by a different complexity measure. We prove nearly matching upper and lower bounds on this sample complexity. This shows that there is a significant benefit in semi-supervised robust learning even in the worst-case distribution-free model, and establishes a gap between the supervised and semi-supervised label complexities which is known not to hold in standard non-robust PAC learning.

(Neal and Hinton, 1998) recast the problem tackled by EM as the minimization of a free energy functional $F$ on an infinite-dimensional space and EM itself as coordinate descent applied to $F$. Here, we explore alternative ways to optimize the functional. In particular, we identify various gradient flows associated with $F$ and show that their limits coincide with $F$'s stationary points. By discretizing the flows, we obtain three practical particle-based algorithms for maximum likelihood estimation in broad classes of latent variable models. The novel algorithms scale well to high-dimensional settings and outperform existing state-of-the-art methods in experiments.

Convolutional neural networks (CNNs) are increasingly being used in critical systems, where robustness and alignment are crucial. In this context, the field of explainable artificial intelligence has proposed the generation of high-level explanations of the prediction process of CNNs through concept extraction. While these methods can detect whether or not a concept is present in an image, they are unable to determine its location. What is more, a fair comparison of such approaches is difficult due to a lack of proper validation procedures. To address these issues, we propose a novel method for automatic concept extraction and localization based on representations obtained through pixel-wise aggregations of CNN activation maps. Further, we introduce a process for the validation of concept-extraction techniques based on synthetic datasets with pixel-wise annotations of their main components, reducing the need for human intervention. Extensive experimentation on both synthetic and real-world datasets demonstrates that our method outperforms state-of-the-art alternatives.

Probabilistic Graphical Models (PGMs) are generative models of complex systems. They rely on conditional independence assumptions between variables to learn sparse representations which can be visualized in a form of a graph. Such models are used for domain exploration and structure discovery in poorly understood domains. This work introduces a novel technique to perform sparse graph recovery by optimizing deep unrolled networks. Assuming that the input data $X\in\mathbb{R}^{M\times D}$ comes from an underlying multivariate Gaussian distribution, we apply a deep model on $X$ that outputs the precision matrix $\hat{\Theta}$, which can also be interpreted as the adjacency matrix. Our model, uGLAD, builds upon and extends the state-of-the-art model GLAD to the unsupervised setting. The key benefits of our model are (1) uGLAD automatically optimizes sparsity-related regularization parameters leading to better performance than existing algorithms. (2) We introduce multi-task learning based `consensus' strategy for robust handling of missing data in an unsupervised setting. We evaluate model results on synthetic Gaussian data, non-Gaussian data generated from Gene Regulatory Networks, and present a case study in anaerobic digestion.

We consider the problem of minimizing the sum of two convex functions. One of those functions has Lipschitz-continuous gradients, and can be accessed via stochastic oracles, whereas the other is "simple". We provide a Bregman-type algorithm with accelerated convergence in function values to a ball containing the minimum. The radius of this ball depends on problem-dependent constants, including the variance of the stochastic oracle. We further show that this algorithmic setup naturally leads to a variant of Frank-Wolfe achieving acceleration under parallelization. More precisely, when minimizing a smooth convex function on a bounded domain, we show that one can achieve an $\epsilon$ primal-dual gap (in expectation) in $\tilde{O}(1/ \sqrt{\epsilon})$ iterations, by only accessing gradients of the original function and a linear maximization oracle with $O(1/\sqrt{\epsilon})$ computing units in parallel. We illustrate this fast convergence on synthetic numerical experiments.

This paper presents novel generalization bounds for the multi-kernel learning problem. Motivated by applications in sensor networks and spatial-temporal models, we assume that the dataset is mixed where each sample is taken from a finite pool of Markov chains. Our bounds for learning kernels admit $O(\sqrt{\log m})$ dependency on the number of base kernels and $O(1/\sqrt{n})$ dependency on the number of training samples. However, some $O(1/\sqrt{n})$ terms are added to compensate for the dependency among samples compared with existing generalization bounds for multi-kernel learning with i.i.d. datasets.

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or whether a patient has died or not), because the ground-truth probabilities of the events of interest are typically unknown. The problem is therefore analogous to binary classification, with the difference that the objective is to estimate probabilities rather than predicting the specific outcome. This work investigates probability estimation from high-dimensional data using deep neural networks. There exist several methods to improve the probabilities generated by these models but they mostly focus on model (epistemic) uncertainty. For problems with inherent uncertainty, it is challenging to evaluate performance without access to ground-truth probabilities. To address this, we build a synthetic dataset to study and compare different computable metrics. We evaluate existing methods on the synthetic data as well as on three real-world probability estimation tasks, all of which involve inherent uncertainty: precipitation forecasting from radar images, predicting cancer patient survival from histopathology images, and predicting car crashes from dashcam videos. We also give a theoretical analysis of a model for high-dimensional probability estimation which reproduces several of the phenomena evinced in our experiments. Finally, we propose a new method for probability estimation using neural networks, which modifies the training process to promote output probabilities that are consistent with empirical probabilities computed from the data. The method outperforms existing approaches on most metrics on the simulated as well as real-world data.

Policy constraint methods to offline reinforcement learning (RL) typically utilize parameterization or regularization that constrains the policy to perform actions within the support set of the behavior policy. The elaborative designs of parameterization methods usually intrude into the policy networks, which may bring extra inference cost and cannot take full advantage of well-established online methods. Regularization methods reduce the divergence between the learned policy and the behavior policy, which may mismatch the inherent density-based definition of support set thereby failing to avoid the out-of-distribution actions effectively. This paper presents Supported Policy OpTimization (SPOT), which is directly derived from the theoretical formalization of the density-based support constraint. SPOT adopts a VAE-based density estimator to explicitly model the support set of behavior policy and presents a simple but effective density-based regularization term, which can be plugged non-intrusively into off-the-shelf off-policy RL algorithms. SPOT achieves the state-of-the-art performance on standard benchmarks for offline RL. Benefiting from the pluggable design, offline pretrained models from SPOT can also be applied to perform online fine-tuning seamlessly.

Current deep learning models trained to generate radiology reports from chest radiographs are capable of producing clinically accurate, clear, and actionable text that can advance patient care. However, such systems all succumb to the same problem: making hallucinated references to non-existent prior reports. Such hallucinations occur because these models are trained on datasets of real-world patient reports that inherently refer to priors. To this end, we propose two methods to remove references to priors in radiology reports: (1) a GPT-3-based few-shot approach to rewrite medical reports without references to priors; and (2) a BioBERT-based token classification approach to directly remove words referring to priors. We use the aforementioned approaches to modify MIMIC-CXR, a publicly available dataset of chest X-rays and their associated free-text radiology reports; we then retrain CXR-RePaiR, a radiology report generation system, on the adapted MIMIC-CXR dataset. We find that our re-trained model--which we call CXR-ReDonE--outperforms previous report generation methods on clinical metrics, achieving an average BERTScore of 0.2351 (2.57% absolute improvement). We expect our approach to be broadly valuable in enabling current radiology report generation systems to be more directly integrated into clinical pipelines.

We propose the first regret-based approach to the Graphical Bilinear Bandits problem, where $n$ agents in a graph play a stochastic bilinear bandit game with each of their neighbors. This setting reveals a combinatorial NP-hard problem that prevents the use of any existing regret-based algorithm in the (bi-)linear bandit literature. In this paper, we fill this gap and present the first regret-based algorithm for graphical bilinear bandits using the principle of optimism in the face of uncertainty. Theoretical analysis of this new method yields an upper bound of $\tilde{O}(\sqrt{T})$ on the $\alpha$-regret and evidences the impact of the graph structure on the rate of convergence. Finally, we show through various experiments the validity of our approach.

Practical online learning tasks are often naturally defined on unconstrained domains, where optimal algorithms for general convex losses are characterized by the notion of comparator adaptivity. In this paper, we design such algorithms in the presence of switching cost - the latter penalizes the typical optimism in adaptive algorithms, leading to a delicate design trade-off. Based on a novel dual space scaling strategy discovered by a continuous-time analysis, we propose a simple algorithm that improves the existing comparator adaptive regret bound [ZCP22a] to the optimal rate. The obtained benefits are further extended to the expert setting, and the practicality of the proposed algorithm is demonstrated through a sequential investment task.

In this work, we leverage visual prompting (VP) to improve adversarial robustness of a fixed, pre-trained model at testing time. Compared to conventional adversarial defenses, VP allows us to design universal (i.e., data-agnostic) input prompting templates, which have plug-and-play capabilities at testing time to achieve desired model performance without introducing much computation overhead. Although VP has been successfully applied to improving model generalization, it remains elusive whether and how it can be used to defend against adversarial attacks. We investigate this problem and show that the vanilla VP approach is not effective in adversarial defense since a universal input prompt lacks the capacity for robust learning against sample-specific adversarial perturbations. To circumvent it, we propose a new VP method, termed Class-wise Adversarial Visual Prompting (C-AVP), to generate class-wise visual prompts so as to not only leverage the strengths of ensemble prompts but also optimize their interrelations to improve model robustness. Our experiments show that C-AVP outperforms the conventional VP method, with 2.1X standard accuracy gain and 2X robust accuracy gain. Compared to classical test-time defenses, C-AVP also yields a 42X inference time speedup.

We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of graph representation learning with a variety of recent publications but they lack a common foundation about what constitutes a good positional or structural encoding, and what differentiates them. In this paper, we summarize the different types of encodings with a clearer definition and categorize them as being $\textit{local}$, $\textit{global}$ or $\textit{relative}$. The prior GTs are constrained to small graphs with a few hundred nodes, here we propose the first architecture with a complexity linear in the number of nodes and edges $O(N+E)$ by decoupling the local real-edge aggregation from the fully-connected Transformer. We argue that this decoupling does not negatively affect the expressivity, with our architecture being a universal function approximator on graphs. Our GPS recipe consists of choosing 3 main ingredients: (i) positional/structural encoding, (ii) local message-passing mechanism, and (iii) global attention mechanism. We provide a modular framework $\textit{GraphGPS}$ that supports multiple types of encodings and that provides efficiency and scalability both in small and large graphs. We test our architecture on 16 benchmarks and show highly competitive results in all of them, show-casing the empirical benefits gained by the modularity and the combination of different strategies.

Current state-of-the-art employs approximate multipliers to address the highly increased power demands of DNN accelerators. However, evaluating the accuracy of approximate DNNs is cumbersome due to the lack of adequate support for approximate arithmetic in DNN frameworks. We address this inefficiency by presenting AdaPT, a fast emulation framework that extends PyTorch to support approximate inference as well as approximation-aware retraining. AdaPT can be seamlessly deployed and is compatible with the most DNNs. We evaluate the framework on several DNN models and application fields including CNNs, LSTMs, and GANs for a number of approximate multipliers with distinct bitwidth values. The results show substantial error recovery from approximate re-training and reduced inference time up to 53.9x with respect to the baseline approximate implementation.

We tackle the cross-modal retrieval problem, where learning is only supervised by relevant multi-modal pairs in the data. Although the contrastive learning is the most popular approach for this task, it makes potentially wrong assumption that the instances in different pairs are automatically irrelevant. To address the issue, we propose a novel loss function that is based on self-labeling of the unknown semantic classes. Specifically, we aim to predict class labels of the data instances in each modality, and assign those labels to the corresponding instances in the other modality (i.e., swapping the pseudo labels). With these swapped labels, we learn the data embedding for each modality using the supervised cross-entropy loss. This way, cross-modal instances from different pairs that are semantically related can be aligned to each other by the class predictor. We tested our approach on several real-world cross-modal retrieval problems, including text-based video retrieval, sketch-based image retrieval, and image-text retrieval. For all these tasks our method achieves significant performance improvement over the contrastive learning.

Recent multi-task learning research argues against unitary scalarization, where training simply minimizes the sum of the task losses. Several ad-hoc multi-task optimization algorithms have instead been proposed, inspired by various hypotheses about what makes multi-task settings difficult. The majority of these optimizers require per-task gradients, and introduce significant memory, runtime, and implementation overhead. We show that unitary scalarization, coupled with standard regularization and stabilization techniques from single-task learning, matches or improves upon the performance of complex multi-task optimizers in popular supervised and reinforcement learning settings. We then present an analysis suggesting that many specialized multi-task optimizers can be partly interpreted as forms of regularization, potentially explaining our surprising results. We believe our results call for a critical reevaluation of recent research in the area.

We propose the generative adversarial neural operator (GANO), a generative model paradigm for learning probabilities on infinite-dimensional function spaces. The natural sciences and engineering are known to have many types of data that are sampled from infinite-dimensional function spaces, where classical finite-dimensional deep generative adversarial networks (GANs) may not be directly applicable. GANO generalizes the GAN framework and allows for the sampling of functions by learning push-forward operator maps in infinite-dimensional spaces. GANO consists of two main components, a generator neural operator and a discriminator neural functional. The inputs to the generator are samples of functions from a user-specified probability measure, e.g., Gaussian random field (GRF), and the generator outputs are synthetic data functions. The input to the discriminator is either a real or synthetic data function. In this work, we instantiate GANO using the Wasserstein criterion and show how the Wasserstein loss can be computed in infinite-dimensional spaces. We empirically study GANO in controlled cases where both input and output functions are samples from GRFs and compare its performance to the finite-dimensional counterpart GAN. We empirically study the efficacy of GANO on real-world function data of volcanic activities and show its superior performance over GAN.

The Asymptotic Randomised Control (ARC) algorithm provides a rigorous approximation to the optimal strategy for a wide class of Bayesian bandits, while retaining low computational complexity. In particular, the ARC approach provides nearly optimal choices even when the payoffs are correlated or more than the reward is observed. The algorithm is guaranteed to asymptotically optimise the expected discounted payoff, with error depending on the initial uncertainty of the bandit. In this paper, we extend the ARC framework to consider a batched bandit problem where observations arrive from a generalised linear model. In particular, we develop a large sample approximation to allow correlated and generally distributed observation. We apply this to a classic dynamic pricing problem based on a Bayesian hierarchical model and demonstrate that the ARC algorithm outperforms alternative approaches.

The modern strategy for training deep neural networks for classification tasks includes optimizing the network's weights even after the training error vanishes to further push the training loss toward zero. Recently, a phenomenon termed "neural collapse" (NC) has been empirically observed in this training procedure. Specifically, it has been shown that the learned features (the output of the penultimate layer) of within-class samples converge to their mean, and the means of different classes exhibit a certain tight frame structure, which is also aligned with the last layer's weights. Recent papers have shown that minimizers with this structure emerge when optimizing a simplified "unconstrained features model" (UFM) with a regularized cross-entropy loss. In this paper, we further analyze and extend the UFM. First, we study the UFM for the regularized MSE loss, and show that the minimizers' features can have a more delicate structure than in the cross-entropy case. This affects also the structure of the weights. Then, we extend the UFM by adding another layer of weights as well as ReLU nonlinearity to the model and generalize our previous results. Finally, we empirically demonstrate the usefulness of our nonlinear extended UFM in modeling the NC phenomenon that occurs with practical networks.

Transformers have made progress in miscellaneous tasks, but suffer from quadratic computational and memory complexities. Recent works propose sparse Transformers with attention on sparse graphs to reduce complexity and remain strong performance. While effective, the crucial parts of how dense a graph needs to be to perform well are not fully explored. In this paper, we propose Normalized Information Payload (NIP), a graph scoring function measuring information transfer on graph, which provides an analysis tool for trade-offs between performance and complexity. Guided by this theoretical analysis, we present Hypercube Transformer, a sparse Transformer that models token interactions in a hypercube and shows comparable or even better results with vanilla Transformer while yielding $O(N\log N)$ complexity with sequence length $N$. Experiments on tasks requiring various sequence lengths lay validation for our graph function well.

In this paper, we derive upper bounds on generalization errors for deep neural networks with Markov datasets. These bounds are developed based on Koltchinskii and Panchenko's approach for bounding the generalization error of combined classifiers with i.i.d. datasets. The development of new symmetrization inequalities in high-dimensional probability for Markov chains is a key element in our extension, where the spectral gap of the infinitesimal generator of the Markov chain plays a key parameter in these inequalities. We also propose a simple method to convert these bounds and other similar ones in traditional deep learning and machine learning to Bayesian counterparts for both i.i.d. and Markov datasets. Extensions to $m$-order homogeneous Markov chains such as AR and ARMA models and mixtures of several Markov data services are given.

Deep active learning aims to reduce the annotation cost for the training of deep models, which is notoriously data-hungry. Until recently, deep active learning methods were ineffectual in the low-budget regime, where only a small number of examples are annotated. The situation has been alleviated by recent advances in representation and self-supervised learning, which impart the geometry of the data representation with rich information about the points. Taking advantage of this progress, we study the problem of subset selection for annotation through a "covering" lens, proposing ProbCover - a new active learning algorithm for the low budget regime, which seeks to maximize Probability Coverage. We then describe a dual way to view the proposed formulation, from which one can derive strategies suitable for the high budget regime of active learning, related to existing methods like Coreset. We conclude with extensive experiments, evaluating ProbCover in the low-budget regime. We show that our principled active learning strategy improves the state-of-the-art in the low-budget regime in several image recognition benchmarks. This method is especially beneficial in the semi-supervised setting, allowing state-of-the-art semi-supervised methods to match the performance of fully supervised methods, while using much fewer labels nonetheless. Code is available at https://github.com/avihu111/TypiClust.

Neural architecture search (NAS) has gained immense popularity owing to its ability to automate neural architecture design. A number of training-free metrics are recently proposed to realize NAS without training, hence making NAS more scalable. Despite their competitive empirical performances, a unified theoretical understanding of these training-free metrics is lacking. As a consequence, (a) the relationships among these metrics are unclear, (b) there is no theoretical interpretation for their empirical performances, and (c) there may exist untapped potential in existing training-free NAS, which probably can be unveiled through a unified theoretical understanding. To this end, this paper presents a unified theoretical analysis of gradient-based training-free NAS, which allows us to (a) theoretically study their relationships, (b) theoretically guarantee their generalization performances, and (c) exploit our unified theoretical understanding to develop a novel framework named hybrid NAS (HNAS) which consistently boosts training-free NAS in a principled way. Remarkably, HNAS can enjoy the advantages of both training-free (i.e., the superior search efficiency) and training-based (i.e., the remarkable search effectiveness) NAS, which we have demonstrated through extensive experiments.

We introduce new algorithms and convergence guarantees for privacy-preserving non-convex Empirical Risk Minimization (ERM) on smooth $d$-dimensional objectives. We develop an improved sensitivity analysis of stochastic gradient descent on smooth objectives that exploits the recurrence of examples in different epochs. By combining this new approach with recent analysis of momentum with private aggregation techniques, we provide an $(\epsilon,\delta)$-differential private algorithm that finds a gradient of norm $\tilde O\left(\frac{d^{1/3}}{(\epsilon N)^{2/3}}\right)$ in $O\left(\frac{N^{7/3}\epsilon^{4/3}}{d^{2/3}}\right)$ gradient evaluations, improving the previous best gradient bound of $\tilde O\left(\frac{d^{1/4}}{\sqrt{\epsilon N}}\right)$.

Artificial learning systems aspire to mimic human intelligence by continually learning from a stream of tasks without forgetting past knowledge. One way to enable such learning is to store past experiences in the form of input examples in episodic memory and replay them when learning new tasks. However, performance of such method suffers as the size of the memory becomes smaller. In this paper, we propose a new approach for experience replay, where we select the past experiences by looking at the saliency maps which provide visual explanations for the model's decision. Guided by these saliency maps, we pack the memory with only the parts or patches of the input images important for the model's prediction. While learning a new task, we replay these memory patches with appropriate zero-padding to remind the model about its past decisions. We evaluate our algorithm on CIFAR-100, miniImageNet and CUB datasets and report better performance than the state-of-the-art approaches. With qualitative and quantitative analyses we show that our method captures richer summaries of past experiences without any memory increase, and hence performs well with small episodic memory.

This paper presents an approach to trajectory-centric learning control based on contraction metrics and disturbance estimation for nonlinear systems subject to matched uncertainties. The approach uses deep neural networks to learn uncertain dynamics while still providing guarantees of transient tracking performance throughout the learning phase. Within the proposed approach, a disturbance estimation law is adopted to estimate the pointwise value of the uncertainty, with pre-computable estimation error bounds (EEBs). The learned dynamics, the estimated disturbances, and the EEBs are then incorporated in a robust Riemann energy condition to compute the control law that guarantees exponential convergence of actual trajectories to desired ones throughout the learning phase, even when the learned model is poor. On the other hand, with improved accuracy, the learned model can help improve the robustness of the tracking controller, e.g., against input delays, and can be incorporated to plan better trajectories with improved performance, e.g., lower energy consumption and shorter travel time.The proposed framework is validated on a planar quadrotor example.

The strong demand for efficient and performant deployment of Deep Learning (DL) applications prompts the rapid development of a rich DL ecosystem. To keep up with this fast advancement, it is crucial for modern DL frameworks to efficiently integrate a variety of optimized tensor algebra libraries and runtimes as their backends and generate the fastest possible executable using these backends. However, current DL frameworks require significant manual effort and expertise to integrate every new backend while failing to unleash its full potential. Given the fast-evolving nature of the DL ecosystem, this manual approach often slows down continuous innovations across different layers; it prevents hardware vendors from the fast deployment of their cutting-edge libraries, DL framework developers must repeatedly adjust their hand-coded rules to accommodate new versions of libraries, and machine learning practitioners need to wait for the integration of new technologies and often encounter unsatisfactory performance. In this paper, we propose Collage, a DL framework that offers seamless integration of DL backends. Collage provides an expressive backend registration interface that allows users to precisely specify the capability of various backends. By leveraging the specifications of available backends, Collage automatically searches for an optimized backend placement strategy for a given workload and execution environment. Our evaluation shows that Collage outperforms the best existing framework for each hardware by $1.26\times$, $1.43\times$, $1.40\times$ on average on NVIDIA's RTX 2070 GPU, V100 GPU, and Intel's Xeon 8259CL CPU, respectively. Collage has also been deployed in Apache TVM.

We present a novel technique for hierarchical super resolution (SR) with neural networks (NNs), which upscales volumetric data represented with an octree data structure to a high-resolution uniform grid with minimal seam artifacts on octree node boundaries. Our method uses existing state-of-the-art SR models and adds flexibility to upscale input data with varying levels of detail across the domain, instead of only uniform grid data that are supported in previous approaches. The key is to use a hierarchy of SR NNs, each trained to perform 2x SR between two levels of detail, with a hierarchical SR algorithm that minimizes seam artifacts by starting from the coarsest level of detail and working up. We show that our hierarchical approach outperforms baseline interpolation and hierarchical upscaling methods, and demonstrate the usefulness of our proposed approach across three use cases including data reduction using hierarchical downsampling+SR instead of uniform downsampling+SR, computation savings for hierarchical finite-time Lyapunov exponent field calculation, and super-resolving low-resolution simulation results for a high-resolution approximation visualization.

Value factorisation is a useful technique for multi-agent reinforcement learning (MARL) in global reward game, however its underlying mechanism is not yet fully understood. This paper studies a theoretical framework for value factorisation with interpretability via Shapley value theory. We generalise Shapley value to Markov convex game called Markov Shapley value (MSV) and apply it as a value factorisation method in global reward game, which is obtained by the equivalence between the two games. Based on the properties of MSV, we derive Shapley-Bellman optimality equation (SBOE) to evaluate the optimal MSV, which corresponds to an optimal joint deterministic policy. Furthermore, we propose Shapley-Bellman operator (SBO) that is proved to solve SBOE. With a stochastic approximation and some transformations, a new MARL algorithm called Shapley Q-learning (SHAQ) is established, the implementation of which is guided by the theoretical results of SBO and MSV. We also discuss the relationship between SHAQ and relevant value factorisation methods. In the experiments, SHAQ exhibits not only superior performances on all tasks but also the interpretability that agrees with the theoretical analysis. The implementation of this paper is on https://github.com/hsvgbkhgbv/shapley-q-learning.

Deep Reinforcement Learning has demonstrated the potential of neural networks tuned with gradient descent for solving complex tasks in well-delimited environments. However, these neural systems are slow learners producing specialized agents with no mechanism to continue learning beyond their training curriculum. On the contrary, biological synaptic plasticity is persistent and manifold, and has been hypothesized to play a key role in executive functions such as working memory and cognitive flexibility, potentially supporting more efficient and generic learning abilities. Inspired by this, we propose to build networks with dynamic weights, able to continually perform self-reflexive modification as a function of their current synaptic state and action-reward feedback, rather than a fixed network configuration. The resulting model, MetODS (for Meta-Optimized Dynamical Synapses) is a broadly applicable meta-reinforcement learning system able to learn efficient and powerful control rules in the agent policy space. A single layer with dynamic synapses can perform one-shot learning, generalizes navigation principles to unseen environments and manifests a strong ability to learn adaptive motor policies.

Generative machine learning models are being increasingly viewed as a way to share sensitive data between institutions. While there has been work on developing differentially private generative modeling approaches, these approaches generally lead to sub-par sample quality, limiting their use in real world applications. Another line of work has focused on developing generative models which lead to higher quality samples but currently lack any formal privacy guarantees. In this work, we propose the first formal framework for membership privacy estimation in generative models. We formulate the membership privacy risk as a statistical divergence between training samples and hold-out samples, and propose sample-based methods to estimate this divergence. Compared to previous works, our framework makes more realistic and flexible assumptions. First, we offer a generalizable metric as an alternative to the accuracy metric especially for imbalanced datasets. Second, we loosen the assumption of having full access to the underlying distribution from previous studies , and propose sample-based estimations with theoretical guarantees. Third, along with the population-level membership privacy risk estimation via the optimal membership advantage, we offer the individual-level estimation via the individual privacy risk. Fourth, our framework allows adversaries to access the trained model via a customized query, while prior works require specific attributes.

This paper studies the curious phenomenon for machine learning models with Transformer architectures that their activation maps are sparse. By activation map we refer to the intermediate output of the multi-layer perceptrons (MLPs) after a ReLU activation function, and by "sparse" we mean that on average very few entries (e.g., 3.0% for T5-Base and 6.3% for ViT-B16) are nonzero for each input to MLP. Moreover, larger Transformers with more layers and wider MLP hidden dimensions are sparser as measured by the percentage of nonzero entries. Through extensive experiments we demonstrate that the emergence of sparsity is a prevalent phenomenon that occurs for both natural language processing and vision tasks, on both training and evaluation data, for Transformers of various configurations, at layers of all depth levels, as well as for other architectures including MLP-mixers and 2-layer MLPs. We show that sparsity also emerges using training datasets with random labels, or with random inputs, or with infinite amount of data, demonstrating that sparsity is not a result of a specific family of datasets. We discuss how sparsity immediately implies a way to significantly reduce the FLOP count and improve efficiency for Transformers. Moreover, we demonstrate perhaps surprisingly that enforcing an even sparser activation via Top-k thresholding with a small value of k brings a collection of desired but missing properties for Transformers, namely less sensitivity to noisy training data, more robustness to input corruptions, and better calibration for their prediction confidence.

Panoptic segmentation assigns semantic and instance ID labels to every pixel of an image. As permutations of instance IDs are also valid solutions, the task requires learning of high-dimensional one-to-many mapping. As a result, state-of-the-art approaches use customized architectures and task-specific loss functions. We formulate panoptic segmentation as a discrete data generation problem, without relying on inductive bias of the task. A diffusion model based on analog bits is used to model panoptic masks, with a simple, generic architecture and loss function. By simply adding past predictions as a conditioning signal, our method is capable of modeling video (in a streaming setting) and thereby learns to track object instances automatically. With extensive experiments, we demonstrate that our generalist approach can perform competitively to state-of-the-art specialist methods in similar settings.

The field of two-dimensional materials has mastered the fabrication and characterisation of a broad range of novel high-quality compounds that feature increasing complexity. Determination of the band structure parameters of such complex materials is a major ingredient required for quantitative theory. This task currently presents a formidable challenge: ab initio methods often do not provide quantitatively accurate values of parameters, whereas inferring band structure parameters from experiments is hindered by the complexity of the band structure and indirect nature of experimental probes. In this work we propose a general framework for determination of band structure parameters from experimental data based on deep neural networks. As a specific example we apply our method to the penetration field capacitance measurement of trilayer graphene that effectively probes its density of states. First, we demonstrate that a trained deep network gives accurate predictions for the penetration field capacitance as a function of tight-binding parameters. Next, we use the fast and accurate predictions from the trained network to automatically determine tight-binding parameters directly from experimental data, with extracted parameters being in a good agreement with values in the literature. We conclude by discussing potential applications of our method to other materials and experimental techniques beyond penetration field capacitance.

We develop a novel and simple method to produce prediction intervals (PIs) for fitting and forecasting exercises. It finds the lower and upper bound of the intervals by minimising a weighted asymmetric loss function, where the weight depends on the width of the interval. We give a short mathematical proof. As a corollary of our proof, we find PIs for values restricted to a parameterised function and argue why the method works for predicting PIs of dependent variables. The results of applying the method on a neural network deployed in a real-world forecasting task prove the validity of its practical implementation in complex machine learning setups.

This paper presents a novel beverage intake monitoring system that can accurately recognize beverage kinds and freshness. By mounting carbon electrodes on the commercial cup, the system measures the electrochemical impedance spectrum of the fluid in the cup. We studied the frequency sensitivity of the electrochemical impedance spectrum regarding distinct beverages and the importance of features like amplitude, phase, and real and imaginary components for beverage classification. The results show that features from a low-frequency domain (100 Hz to 1000 Hz) provide more meaningful information for beverage classification than the higher frequency domain. Twenty beverages, including carbonated drinks and juices, were classified with nearly perfect accuracy using a supervised machine learning approach. The same performance was also observed in the freshness recognition, where four different kinds of milk and fruit juice were studied.

Much of text-to-speech research relies on human evaluation, which incurs heavy costs and slows down the development process. The problem is particularly acute in heavily multilingual applications, where recruiting and polling judges can take weeks. We introduce SQuId (Speech Quality Identification), a multilingual naturalness prediction model trained on over a million ratings and tested in 65 locales-the largest effort of this type to date. The main insight is that training one model on many locales consistently outperforms mono-locale baselines. We present our task, the model, and show that it outperforms a competitive baseline based on w2v-BERT and VoiceMOS by 50.0%. We then demonstrate the effectiveness of cross-locale transfer during fine-tuning and highlight its effect on zero-shot locales, i.e., locales for which there is no fine-tuning data. Through a series of analyses, we highlight the role of non-linguistic effects such as sound artifacts in cross-locale transfer. Finally, we present the effect of our design decision, e.g., model size, pre-training diversity, and language rebalancing with several ablation experiments.

Quantitative MRI (qMRI) refers to a class of MRI methods for quantifying the spatial distribution of biological tissue parameters. Traditional qMRI methods usually deal separately with artifacts arising from accelerated data acquisition, involuntary physical motion, and magnetic-field inhomogeneities, leading to suboptimal end-to-end performance. This paper presents CoRRECT, a unified deep unfolding (DU) framework for qMRI consisting of a model-based end-to-end neural network, a method for motion-artifact reduction, and a self-supervised learning scheme. The network is trained to produce R2* maps whose k-space data matches the real data by also accounting for motion and field inhomogeneities. When deployed, CoRRECT only uses the k-space data without any pre-computed parameters for motion or inhomogeneity correction. Our results on experimentally collected multi-Gradient-Recalled Echo (mGRE) MRI data show that CoRRECT recovers motion and inhomogeneity artifact-free R2* maps in highly accelerated acquisition settings. This work opens the door to DU methods that can integrate physical measurement models, biophysical signal models, and learned prior models for high-quality qMRI.

Estimating the effects of continuous-valued interventions from observational data is a critically important task for climate science, healthcare, and economics. Recent work focuses on designing neural network architectures and regularization functions to allow for scalable estimation of average and individual-level dose-response curves from high-dimensional, large-sample data. Such methodologies assume ignorability (observation of all confounding variables) and positivity (observation of all treatment levels for every covariate value describing a set of units), assumptions problematic in the continuous treatment regime. Scalable sensitivity and uncertainty analyses to understand the ignorance induced in causal estimates when these assumptions are relaxed are less studied. Here, we develop a continuous treatment-effect marginal sensitivity model (CMSM) and derive bounds that agree with the observed data and a researcher-defined level of hidden confounding. We introduce a scalable algorithm and uncertainty-aware deep models to derive and estimate these bounds for high-dimensional, large-sample observational data. We work in concert with climate scientists interested in the climatological impacts of human emissions on cloud properties using satellite observations from the past 15 years. This problem is known to be complicated by many unobserved confounders.

Consider the problem setting of Interaction-Grounded Learning (IGL), in which a learner's goal is to optimally interact with the environment with no explicit reward to ground its policies. The agent observes a context vector, takes an action, and receives a feedback vector, using this information to effectively optimize a policy with respect to a latent reward function. Prior analyzed approaches fail when the feedback vector contains the action, which significantly limits IGL's success in many potential scenarios such as Brain-computer interface (BCI) or Human-computer interface (HCI) applications. We address this by creating an algorithm and analysis which allows IGL to work even when the feedback vector contains the action, encoded in any fashion. We provide theoretical guarantees and large-scale experiments based on supervised datasets to demonstrate the effectiveness of the new approach.

This paper studies multi-agent reinforcement learning in Markov games, with the goal of learning Nash equilibria or coarse correlated equilibria (CCE) sample-optimally. All prior results suffer from at least one of the two obstacles: the curse of multiple agents and the barrier of long horizon, regardless of the sampling protocol in use. We take a step towards settling this problem, assuming access to a flexible sampling mechanism: the generative model. Focusing on non-stationary finite-horizon Markov games, we develop a fast learning algorithm called \myalg~and an adaptive sampling scheme that leverage the optimism principle in online adversarial learning (particularly the Follow-the-Regularized-Leader (FTRL) method). Our algorithm learns an $\varepsilon$-approximate CCE in a general-sum Markov game using $$ \widetilde{O}\bigg( \frac{H^4 S \sum_{i=1}^m A_i}{\varepsilon^2} \bigg) $$ samples, where $m$ is the number of players, $S$ indicates the number of states, $H$ is the horizon, and $A_i$ denotes the number of actions for the $i$-th player. This is minimax-optimal (up to log factor) when the number of players is fixed. When applied to two-player zero-sum Markov games, our algorithm provably finds an $\varepsilon$-approximate Nash equilibrium with minimal samples. Along the way, we derive a refined regret bound for FTRL that makes explicit the role of variance-type quantities, which might be of independent interest.

We present a human-in-the-loop approach to generate counterfactual (CF) explanations that preserve global and local feasibility constraints. Global feasibility constraints refer to the causal constraints that are necessary for generating actionable CF explanation. Assuming a domain expert with knowledge on unary and binary causal constraints, our approach efficiently employs this knowledge to generate CF explanation by rejecting gradient steps that violate these constraints. Local feasibility constraints encode end-user's constraints for generating desirable CF explanation. We extract these constraints from the end-user of the model and exploit them during CF generation via user-defined distance metric. Through user studies, we demonstrate that incorporating causal constraints during CF generation results in significantly better explanations in terms of feasibility and desirability for participants. Adopting local and global feasibility constraints simultaneously, although improves user satisfaction, does not significantly improve desirability of the participants compared to only incorporating global constraints.

The Motor Imagery (MI) electroencephalography (EEG) based Brain Computer Interfaces (BCIs) allow the direct communication between humans and machines by exploiting the neural pathways connected to motor imagination. Therefore, these systems open the possibility of developing applications that could span from the medical field to the entertainment industry. In this context, Artificial Intelligence (AI) approaches become of fundamental importance especially when wanting to provide a correct and coherent feedback to BCI users. Moreover, publicly available datasets in the field of MI EEG-based BCIs have been widely exploited to test new techniques from the AI domain. In this work, AI approaches applied to datasets collected in different years and with different devices but with coherent experimental paradigms are investigated with the aim of providing a concise yet sufficiently comprehensive survey on the evolution and influence of AI techniques on MI EEG-based BCI data.

We consider the dynamic linear regression problem, where the predictor vector may vary with time. This problem can be modeled as a linear dynamical system, with non-constant observation operator, where the parameters that need to be learned are the variance of both the process noise and the observation noise. While variance estimation for dynamic regression is a natural problem, with a variety of applications, existing approaches to this problem either lack guarantees altogether, or only have asymptotic guarantees without explicit rates. In particular, existing literature does not provide any clues to the following fundamental question: In terms of data characteristics, what does the convergence rate depend on? In this paper we study the global system operator -- the operator that maps the noise vectors to the output. We obtain estimates on its spectrum, and as a result derive the first known variance estimators with finite sample complexity guarantees. The proposed bounds depend on the shape of a certain spectrum related to the system operator, and thus provide the first known explicit geometric parameter of the data that can be used to bound estimation errors. In addition, the results hold for arbitrary sub Gaussian distributions of noise terms. We evaluate the approach on synthetic and real-world benchmarks.

Pretrained language models (PLMs) have demonstrated remarkable performance in various natural language processing tasks: Unidirectional PLMs (e.g., GPT) are well known for their superior text generation capabilities; bidirectional PLMs (e.g., BERT) have been the prominent choice for natural language understanding (NLU) tasks. While both types of models have achieved promising few-shot learning performance, their potential for zero-shot learning has been underexplored. In this paper, we present a simple approach that uses both types of PLMs for fully zero-shot learning of NLU tasks without requiring any task-specific data: A unidirectional PLM generates class-conditioned texts guided by prompts, which are used as the training data for fine-tuning a bidirectional PLM. With quality training data selected based on the generation probability and regularization techniques (label smoothing and temporal ensembling) applied to the fine-tuning stage for better generalization and stability, our approach demonstrates strong performance across seven classification tasks of the GLUE benchmark (e.g., 72.3/73.8 on MNLI-m/mm and 92.8 on SST-2), significantly outperforming zero-shot prompting methods and achieving even comparable results to strong few-shot approaches using 32 training samples per class.

Safe exploration is a challenging and important problem in model-free reinforcement learning (RL). Often the safety cost is sparse and unknown, which unavoidably leads to constraint violations -- a phenomenon ideally to be avoided in safety-critical applications. We tackle this problem by augmenting the state-space with a safety state, which is nonnegative if and only if the constraint is satisfied. The value of this state also serves as a distance toward constraint violation, while its initial value indicates the available safety budget. This idea allows us to derive policies for scheduling the safety budget during training. We call our approach Simmer (Safe policy IMproveMEnt for RL) to reflect the careful nature of these schedules. We apply this idea to two safe RL problems: RL with constraints imposed on an average cost, and RL with constraints imposed on a cost with probability one. Our experiments suggest that "simmering, a safe algorithm can improve safety during training for both settings. We further show that Simmer can stabilize training and improve the performance of safe RL with average constraints.

Code pre-trained models (CodePTMs) have recently demonstrated significant success in code intelligence. To interpret these models, some probing methods have been applied. However, these methods fail to consider the inherent characteristics of codes. In this paper, to address the problem, we propose a novel probing method CAT-probing to quantitatively interpret how CodePTMs attend code structure. We first denoise the input code sequences based on the token types pre-defined by the compilers to filter those tokens whose attention scores are too small. After that, we define a new metric CAT-score to measure the commonality between the token-level attention scores generated in CodePTMs and the pair-wise distances between corresponding AST nodes. The higher the CAT-score, the stronger the ability of CodePTMs to capture code structure. We conduct extensive experiments to integrate CAT-probing with representative CodePTMs for different programming languages. Experimental results show the effectiveness of CAT-probing in CodePTM interpretation. Our codes and data are publicly available at https://github.com/nchen909/CodeAttention.

Corpora that contain tabular data such as WebTables are a vital resource for the academic community. Essentially, they are the backbone of any modern research in information management. They are used for various tasks of data extraction, knowledge base construction, question answering, column semantic type detection and many other. Such corpora are useful not only as a source of data, but also as a base for building test datasets. So far, there were no such corpora for the Russian language and this seriously hindered research in the aforementioned areas. In this paper, we present the first corpus of Web tables created specifically out of Russian language material. It was built via a special toolkit we have developed to crawl the Russian Wikipedia. Both the corpus and the toolkit are open-source and publicly available. Finally, we present a short study that describes Russian Wikipedia tables and their statistics.

Stress is prevalent in many aspects of everyday life including work, healthcare, and social interactions. Many works have studied handcrafted features from various bio-signals that are indicators of stress. Recently, deep learning models have also been proposed to detect stress. Typically, stress models are trained and validated on the same dataset, often involving one stressful scenario. However, it is not practical to collect stress data for every scenario. So, it is crucial to study the generalizability of these models and determine to what extent they can be used in other scenarios. In this paper, we explore the generalization capabilities of Electrocardiogram (ECG)-based deep learning models and models based on handcrafted ECG features, i.e., Heart Rate Variability (HRV) features. To this end, we train three HRV models and two deep learning models that use ECG signals as input. We use ECG signals from two popular stress datasets - WESAD and SWELL-KW - differing in terms of stressors and recording devices. First, we evaluate the models using leave-one-subject-out (LOSO) cross-validation using training and validation samples from the same dataset. Next, we perform a cross-dataset validation of the models, that is, LOSO models trained on the WESAD dataset are validated using SWELL-KW samples and vice versa. While deep learning models achieve the best results on the same dataset, models based on HRV features considerably outperform them on data from a different dataset. This trend is observed for all the models on both datasets. Therefore, HRV models are a better choice for stress recognition in applications that are different from the dataset scenario. To the best of our knowledge, this is the first work to compare the cross-dataset generalizability between ECG-based deep learning models and HRV models.

As the field of Graph Neural Networks (GNN) continues to grow, it experiences a corresponding increase in the need for large, real-world datasets to train and test new GNN models on challenging, realistic problems. Unfortunately, such graph datasets are often generated from online, highly privacy-restricted ecosystems, which makes research and development on these datasets hard, if not impossible. This greatly reduces the amount of benchmark graphs available to researchers, causing the field to rely only on a handful of publicly-available datasets. To address this dilemma, we introduce a novel graph generative model, Computation Graph Transformer (CGT) that can learn and reproduce the distribution of real-world graphs in a privacy-enhanced way. Our proposed model (1) generates effective benchmark graphs on which GNNs show similar task performance as on the source graphs, (2) scales to process large-scale real-world graphs, (3) guarantees privacy for end-users. Extensive experiments across a vast body of graph generative models show that only our model can successfully generate privacy-controlled, synthetic substitutes of large-scale real-world graphs that can be effectively used to evaluate GNN models.

Epilepsy is a neurological brain disorder which life threatening and gives rise to recurrent seizures that are unprovoked. It occurs due to the abnormal chemical changes in our brain. Over the course of many years, studies have been conducted to support automatic diagnosis of epileptic seizures for the ease of clinicians. For that, several studies entail the use of machine learning methods for the early prediction of epileptic seizures. Mainly, feature extraction methods have been used to extract the right features from the EEG data generated by the EEG machine and then various machine learning classifiers are used for the classification process. This study provides a systematic literature review of feature selection process as well as the classification performance. This study was limited to the finding of most used feature extraction methods and the classifiers used for accurate classification of normal to epileptic seizures. The existing literature was examined from well-known repositories such as MPDI, IEEEXplore, Wiley, Elsevier, ACM, Springerlink and others. Furthermore, a taxonomy was created that recapitulates the state-of-the-art used solutions for this problem. We also studied the nature of different benchmark and unbiased datasets and gave a rigorous analysis of the working of classifiers. Finally, we concluded the research by presenting the gaps, challenges and opportunities which can further help researchers in prediction of epileptic seizure

We establish exact asymptotic expressions for the normalized mutual information and minimum mean-square-error (MMSE) of sparse linear regression in the sub-linear sparsity regime. Our result is achieved by a generalization of the adaptive interpolation method in Bayesian inference for linear regimes to sub-linear ones. A modification of the well-known approximate message passing algorithm to approach the MMSE fundamental limit is also proposed, and its state evolution is rigorously analyzed. Our results show that the traditional linear assumption between the signal dimension and number of observations in the replica and adaptive interpolation methods is not necessary for sparse signals. They also show how to modify the existing well-known AMP algorithms for linear regimes to sub-linear ones.

Multilingual evaluation benchmarks usually contain limited high-resource languages and do not test models for specific linguistic capabilities. CheckList is a template-based evaluation approach that tests models for specific capabilities. The CheckList template creation process requires native speakers, posing a challenge in scaling to hundreds of languages. In this work, we explore multiple approaches to generate Multilingual CheckLists. We device an algorithm - Template Extraction Algorithm (TEA) for automatically extracting target language CheckList templates from machine translated instances of a source language templates. We compare the TEA CheckLists with CheckLists created with different levels of human intervention. We further introduce metrics along the dimensions of cost, diversity, utility, and correctness to compare the CheckLists. We thoroughly analyze different approaches to creating CheckLists in Hindi. Furthermore, we experiment with 9 more different languages. We find that TEA followed by human verification is ideal for scaling Checklist-based evaluation to multiple languages while TEA gives a good estimates of model performance.

The graph Transformer emerges as a new architecture and has shown superior performance on various graph mining tasks. In this work, we observe that existing graph Transformers treat nodes as independent tokens and construct a single long sequence composed of all node tokens so as to train the Transformer model, causing it hard to scale to large graphs due to the quadratical complexity on the number of nodes for the self-attention computation. To this end, we propose a Neighborhood Aggregation Graph Transformer (NAGphormer) that treats each node as a sequence containing a series of tokens constructed by our proposed Hop2Token module. For each node, Hop2Token aggregates the neighborhood features from different hops into different representations and thereby produces a sequence of token vectors as one input. In this way, NAGphormer could be trained in a mini-batch manner and thus could scale to large graphs. Moreover, we mathematically show that as compared to a category of advanced Graph Neural Networks (GNNs), the decoupled Graph Convolutional Network, NAGphormer could learn more informative node representations from the multi-hop neighborhoods. Extensive experiments on benchmark datasets from small to large are conducted to demonstrate that NAGphormer consistently outperforms existing graph Transformers and mainstream GNNs.

Avoiding overfitting is a central challenge in machine learning, yet many large neural networks readily achieve zero training loss. This puzzling contradiction necessitates new approaches to the study of overfitting. Here we quantify overfitting via residual information, defined as the bits in fitted models that encode noise in training data. Information efficient learning algorithms minimize residual information while maximizing the relevant bits, which are predictive of the unknown generative models. We solve this optimization to obtain the information content of optimal algorithms for a linear regression problem and compare it to that of randomized ridge regression. Our results demonstrate the fundamental trade-off between residual and relevant information and characterize the relative information efficiency of randomized regression with respect to optimal algorithms. Finally, using results from random matrix theory, we reveal the information complexity of learning a linear map in high dimensions and unveil information-theoretic analogs of double and multiple descent phenomena.

We present TabPFN, a trained Transformer that can do supervised classification for small tabular datasets in less than a second, needs no hyperparameter tuning and is competitive with state-of-the-art classification methods. TabPFN is fully entailed in the weights of our network, which accepts training and test samples as a set-valued input and yields predictions for the entire test set in a single forward pass. TabPFN is a Prior-Data Fitted Network (PFN) and is trained offline once, to approximate Bayesian inference on synthetic datasets drawn from our prior. This prior incorporates ideas from causal reasoning: It entails a large space of structural causal models with a preference for simple structures. On 30 datasets from the OpenML-CC18 suite, we show that our method clearly outperforms boosted trees and performs on par with complex state-of-the-art AutoML systems with up to 70$\times$ speedup. This increases to a 3200$\times$ speedup when a GPU is available. We provide all our code, the trained TabPFN, an interactive browser demo and a Colab notebook at https://github.com/automl/TabPFN.

Nowadays, pre-training big models on large-scale datasets has become a crucial topic in deep learning. The pre-trained models with high representation ability and transferability achieve a great success and dominate many downstream tasks in natural language processing and 2D vision. However, it is non-trivial to promote such a pretraining-tuning paradigm to the 3D vision, given the limited training data that are relatively inconvenient to collect. In this paper, we provide a new perspective of leveraging pre-trained 2D knowledge in 3D domain to tackle this problem, tuning pre-trained image models with the novel Point-to-Pixel prompting for point cloud analysis at a minor parameter cost. Following the principle of prompting engineering, we transform point clouds into colorful images with geometry-preserved projection and geometry-aware coloring to adapt to pre-trained image models, whose weights are kept frozen during the end-to-end optimization of point cloud analysis tasks. We conduct extensive experiments to demonstrate that cooperating with our proposed Point-to-Pixel Prompting, better pre-trained image model will lead to consistently better performance in 3D vision. Enjoying prosperous development from image pre-training field, our method attains 89.3% accuracy on the hardest setting of ScanObjectNN, surpassing conventional point cloud models with much fewer trainable parameters. Our framework also exhibits very competitive performance on ModelNet classification and ShapeNet Part Segmentation. Code is available at https://github.com/wangzy22/P2P.

In recent years, graph representation learning has gained significant popularity, which aims to generate node embeddings that capture features of graphs. One of the methods to achieve this is employing a technique called random walks that captures node sequences in a graph and then learns embeddings for each node using a natural language processing technique called Word2Vec. These embeddings are then used for deep learning on graph data for classification tasks, such as link prediction or node classification. Prior work operates on pre-collected temporal graph data and is not designed to handle updates on a graph in real-time. Real world graphs change dynamically and their entire temporal updates are not available upfront. In this paper, we propose an end-to-end graph learning pipeline that performs temporal graph construction, creates low-dimensional node embeddings, and trains multi-layer neural network models in an online setting. The training of the neural network models is identified as the main performance bottleneck as it performs repeated matrix operations on many sequentially connected low-dimensional kernels. We propose to unlock fine-grain parallelism in these low-dimensional kernels to boost performance of model training.

Automated machine learning has been widely explored to reduce human efforts in designing neural architectures and looking for proper hyperparameters. In the domain of neural initialization, however, similar automated techniques have rarely been studied. Most existing initialization methods are handcrafted and highly dependent on specific architectures. In this paper, we propose a differentiable quantity, named GradCosine, with theoretical insights to evaluate the initial state of a neural network. Specifically, GradCosine is the cosine similarity of sample-wise gradients with respect to the initialized parameters. By analyzing the sample-wise optimization landscape, we show that both the training and test performance of a network can be improved by maximizing GradCosine under gradient norm constraint. Based on this observation, we further propose the neural initialization optimization (NIO) algorithm. Generalized from the sample-wise analysis into the real batch setting, NIO is able to automatically look for a better initialization with negligible cost compared with the training time. With NIO, we improve the classification performance of a variety of neural architectures on CIFAR-10, CIFAR-100, and ImageNet. Moreover, we find that our method can even help to train large vision Transformer architecture without warmup.

The cubic regularization method (CR) and its adaptive version (ARC) are popular Newton-type methods in solving unconstrained non-convex optimization problems, due to its global convergence to local minima under mild conditions. The main aim of this paper is to develop a momentum-accelerated adaptive cubic regularization method (ARCm) to improve the convergent performance. With the proper choice of momentum step size, we show the global convergence of ARCm and the local convergence can also be guaranteed under the \KL property. Such global and local convergence can also be established when inexact solvers with low computational costs are employed in the iteration procedure. Numerical results for non-convex logistic regression and robust linear regression models are reported to demonstrate that the proposed ARCm significantly outperforms state-of-the-art cubic regularization methods (e.g., CR, momentum-based CR, ARC) and the trust region method. In particular, the number of iterations required by ARCm is less than 10\% to 50\% required by the most competitive method (ARC) in the experiments.

Unsupervised anomaly detection models which are trained solely by healthy data, have gained importance in the recent years, as the annotation of medical data is a tedious task. Autoencoders and generative adversarial networks are the standard anomaly detection methods that are utilized to learn the data distribution. However, they fall short when it comes to inference and evaluation of the likelihood of test samples. We propose a novel combination of generative models and a probabilistic graphical model. After encoding image samples by autoencoders, the distribution of data is modeled by Random and Tensorized Sum-Product Networks ensuring exact and efficient inference at test time. We evaluate different autoencoder architectures in combination with Random and Tensorized Sum-Product Networks on mammography images using patch-wise processing and observe superior performance over utilizing the models standalone and state-of-the-art in anomaly detection for medical data.

Automatic interpretation on smartphone-captured chest X-ray (CXR) photographs is challenging due to the geometric distortion (projective transformation) caused by the non-ideal camera position. In this paper, we proposed an innovative deep learning-based Projective Transformation Rectification Network (PTRN) to automatically rectify such distortions by predicting the projective transformation matrix. PTRN is trained on synthetic data to avoid the expensive collection of natural data. Therefore, we proposed an innovative synthetic data framework that accounts for the visual attributes of natural photographs including screen, background, illuminations, and visual artifacts, and generate synthetic CXR photographs and projective transformation matrices as the ground-truth labels for training PTRN. Finally, smartphone-captured CXR photographs are automatically rectified by trained PTRN and interpreted by a classifier trained on high-quality digital CXRs to produce final interpretation results. In the CheXphoto CXR photograph interpretation competition released by the Stanford University Machine Learning Group, our approach achieves a huge performance improvement and won first place (ours 0.850, second-best 0.762, in AUC). A deeper analysis demonstrates that the use of PTRN successfully achieves the performance on CXR photographs to the same level as on digital CXRs, indicating PTRN can eliminate all negative impacts of projective transformation to the interpretation performance. Additionally, there are many real-world scenarios where distorted photographs have to be used for image classification, our PTRN can be used to solve those similar problems due to its generality design.

Retraining deep neural networks when new data arrives is typically computationally expensive. Moreover, certain applications do not allow such costly retraining due to time or computational constraints. Fast Bayesian updates are a possible solution to this issue. Therefore, we propose a Bayesian update based on Monte-Carlo samples and a last-layer Laplace approximation for different Bayesian neural network types, i.e., Dropout, Ensemble, and Spectral Normalized Neural Gaussian Process (SNGP). In a large-scale evaluation study, we show that our updates combined with SNGP represent a fast and competitive alternative to costly retraining. As a use case, we combine the Bayesian updates for SNGP with different sequential query strategies to exemplarily demonstrate their improved selection performance in active learning.

Object detection through LiDAR-based point cloud has recently been important in autonomous driving. Although achieving high accuracy on public benchmarks, the state-of-the-art detectors may still go wrong and cause a heavy loss due to the widespread corruptions in the real world like rain, snow, sensor noise, etc. Nevertheless, there is a lack of a large-scale dataset covering diverse scenes and realistic corruption types with different severities to develop practical and robust point cloud detectors, which is challenging due to the heavy collection costs. To alleviate the challenge and start the first step for robust point cloud detection, we propose the physical-aware simulation methods to generate degraded point clouds under different real-world common corruptions. Then, for the first attempt, we construct a benchmark based on the physical-aware common corruptions for point cloud detectors, which contains a total of 1,122,150 examples covering 7,481 scenes, 25 common corruption types, and 6 severities. With such a novel benchmark, we conduct extensive empirical studies on 8 state-of-the-art detectors that contain 6 different detection frameworks. Thus we get several insight observations revealing the vulnerabilities of the detectors and indicating the enhancement directions. Moreover, we further study the effectiveness of existing robustness enhancement methods based on data augmentation and data denoising. The benchmark can potentially be a new platform for evaluating point cloud detectors, opening a door for developing novel robustness enhancement methods.

In this study, we present meta-sequential prediction (MSP), an unsupervised framework to learn the symmetry from the time sequence of length at least three. Our method leverages the stationary property (e.g. constant velocity, constant acceleration) of the time sequence to learn the underlying equivariant structure of the dataset by simply training the encoder-decoder model to be able to predict the future observations. We will demonstrate that, with our framework, the hidden disentangled structure of the dataset naturally emerges as a by-product by applying simultaneous block-diagonalization to the transition operators in the latent space, the procedure which is commonly used in representation theory to decompose the feature-space based on the type of response to group actions. We will showcase our method from both empirical and theoretical perspectives. Our result suggests that finding a simple structured relation and learning a model with extrapolation capability are two sides of the same coin. The code is available at https://github.com/takerum/meta_sequential_prediction.

Various neural network architectures rely on pooling operators to aggregate information coming from different sources. It is often implicitly assumed in such contexts that vectors encode epistemic states, i.e. that vectors capture the evidence that has been obtained about some properties of interest, and that pooling these vectors yields a vector that combines this evidence. We study, for a number of standard pooling operators, under what conditions they are compatible with this idea, which we call the epistemic pooling principle. While we find that all the considered pooling operators can satisfy the epistemic pooling principle, this only holds when embeddings are sufficiently high-dimensional and, for most pooling operators, when the embeddings satisfy particular constraints (e.g. having non-negative coordinates). We then study the implications of these constraints, starting from the idea that we should be able to verify whether an arbitrary propositional formula is satisfied in the epistemic state encoded by a given vector. We find that when the epistemic pooling principle is satisfied, in most cases it is impossible to verify the satisfaction of propositional formulas using linear scoring functions, with two exceptions: (i) max-pooling with embeddings that are upper-bounded and (ii) Hadamard pooling with non-negative embeddings. Finally, we also study an extension of the epistemic pooling principle to weighted epistemic states, where max-pooling emerges as the most suitable operator.

Discovering causal relations from observational data becomes possible with additional assumptions such as considering the functional relations to be constrained as nonlinear with additive noise. In this case, the Hessian of the data log-likelihood can be used for finding leaf nodes in a causal graph. Topological ordering approaches for causal discovery exploit this by performing graph discovery in two steps, first sequentially identifying nodes in reverse order of depth (topological ordering), and secondly pruning the potential relations. This is more efficient since the search is performed over a permutation rather than a graph space. However, existing computational methods for obtaining the Hessian still do not scale as the number of variables and the number of samples are increased. Therefore, inspired by recent innovations in diffusion probabilistic models (DPMs), we propose DiffAN, a topological ordering algorithm that leverages DPMs. Further, we introduce theory for updating the learned Hessian without re-training the neural network, and we show that computing with a subset of samples gives an accurate approximation of the ordering, which allows scaling to datasets with more samples and variables. We show empirically that our method scales exceptionally well to datasets with up to $500$ nodes and up to $10^5$ samples while still performing on par over small datasets with state-of-the-art causal discovery methods. Implementation is available at https://github.com/vios-s/DiffAN .

The past few years have witnessed a remarkable advance in deep learning for EEG-based sleep stage classification (SSC). However, the success of these models is attributed to possessing a massive amount of labeled data for training, limiting their applicability in real-world scenarios. In such scenarios, sleep labs can generate a massive amount of data, but labeling these data can be expensive and time-consuming. Recently, the self-supervised learning (SSL) paradigm has shined as one of the most successful techniques to overcome the scarcity of labeled data. In this paper, we evaluate the efficacy of SSL to boost the performance of existing SSC models in the few-labels regime. We conduct a thorough study on three SSC datasets, and we find that fine-tuning the pretrained SSC models with only 5% of labeled data can achieve competitive performance to the supervised training with full labels. Moreover, self-supervised pretraining helps SSC models to be more robust to data imbalance and domain shift problems. The code is publicly available at \url{https://github.com/emadeldeen24/eval_ssl_ssc}.

Many generative models synthesize data by transforming a standard Gaussian random variable using a deterministic neural network. Among these models are the Variational Autoencoders and the Generative Adversarial Networks. In this work, we call them "push-forward" models and study their expressivity. We show that the Lipschitz constant of these generative networks has to be large in order to fit multimodal distributions. More precisely, we show that the total variation distance and the Kullback-Leibler divergence between the generated and the data distribution are bounded from below by a constant depending on the mode separation and the Lipschitz constant. Since constraining the Lipschitz constants of neural networks is a common way to stabilize generative models, there is a provable trade-off between the ability of push-forward models to approximate multimodal distributions and the stability of their training. We validate our findings on one-dimensional and image datasets and empirically show that generative models consisting of stacked networks with stochastic input at each step, such as diffusion models do not suffer of such limitations.

Trajectory inference aims at recovering the dynamics of a population from snapshots of its temporal marginals. To solve this task, a min-entropy estimator relative to the Wiener measure in path space was introduced by Lavenant et al. arXiv:2102.09204, and shown to consistently recover the dynamics of a large class of drift-diffusion processes from the solution of an infinite dimensional convex optimization problem. In this paper, we introduce a grid-free algorithm to compute this estimator. Our method consists in a family of point clouds (one per snapshot) coupled via Schr\"odinger bridges which evolve with noisy gradient descent. We study the mean-field limit of the dynamics and prove its global convergence to the desired estimator. Overall, this leads to an inference method with end-to-end theoretical guarantees that solves an interpretable model for trajectory inference. We also present how to adapt the method to deal with mass variations, a useful extension when dealing with single cell RNA-sequencing data where cells can branch and die.

We show how transformers can be used to vastly simplify neural video compression. Previous methods have been relying on an increasing number of architectural biases and priors, including motion prediction and warping operations, resulting in complex models. Instead, we independently map input frames to representations and use a transformer to model their dependencies, letting it predict the distribution of future representations given the past. The resulting video compression transformer outperforms previous methods on standard video compression data sets. Experiments on synthetic data show that our model learns to handle complex motion patterns such as panning, blurring and fading purely from data. Our approach is easy to implement, and we release code to facilitate future research.

Being able to provide counterfactual interventions - sequences of actions we would have had to take for a desirable outcome to happen - is essential to explain how to change an unfavourable decision by a black-box machine learning model (e.g., being denied a loan request). Existing solutions have mainly focused on generating feasible interventions without providing explanations on their rationale. Moreover, they need to solve a separate optimization problem for each user. In this paper, we take a different approach and learn a program that outputs a sequence of explainable counterfactual actions given a user description and a causal graph. We leverage program synthesis techniques, reinforcement learning coupled with Monte Carlo Tree Search for efficient exploration, and rule learning to extract explanations for each recommended action. An experimental evaluation on synthetic and real-world datasets shows how our approach generates effective interventions by making orders of magnitude fewer queries to the black-box classifier with respect to existing solutions, with the additional benefit of complementing them with interpretable explanations.

Graph Convolutional Network (GCN) has exhibited strong empirical performance in many real-world applications. The vast majority of existing works on GCN primarily focus on the accuracy while ignoring how confident or uncertain a GCN is with respect to its predictions. Despite being a cornerstone of trustworthy graph mining, uncertainty quantification on GCN has not been well studied and the scarce existing efforts either fail to provide deterministic quantification or have to change the training procedure of GCN by introducing additional parameters or architectures. In this paper, we propose the first frequentist-based approach named JuryGCN in quantifying the uncertainty of GCN, where the key idea is to quantify the uncertainty of a node as the width of confidence interval by a jackknife estimator. Moreover, we leverage the influence functions to estimate the change in GCN parameters without re-training to scale up the computation. The proposed JuryGCN is capable of quantifying uncertainty deterministically without modifying the GCN architecture or introducing additional parameters. We perform extensive experimental evaluation on real-world datasets in the tasks of both active learning and semi-supervised node classification, which demonstrate the efficacy of the proposed method.

Well-designed diagnostic tasks have played a key role in studying the failure of neural nets (NNs) to generalize systematically. Famous examples include SCAN and Compositional Table Lookup (CTL). Here we introduce CTL++, a new diagnostic dataset based on compositions of unary symbolic functions. While the original CTL is used to test length generalization or productivity, CTL++ is designed to test systematicity of NNs, that is, their capability to generalize to unseen compositions of known functions. CTL++ splits functions into groups and tests performance on group elements composed in a way not seen during training. We show that recent CTL-solving Transformer variants fail on CTL++. The simplicity of the task design allows for fine-grained control of task difficulty, as well as many insightful analyses. For example, we measure how much overlap between groups is needed by tested NNs for learning to compose. We also visualize how learned symbol representations in outputs of functions from different groups are compatible in case of success but not in case of failure. These results provide insights into failure cases reported on more complex compositions in the natural language domain. Our code is public.

Gradient-based deep-learning algorithms exhibit remarkable performance in practice, but it is not well-understood why they are able to generalize despite having more parameters than training examples. It is believed that implicit bias is a key factor in their ability to generalize, and hence it was widely studied in recent years. In this short survey, we explain the notion of implicit bias, review main results and discuss their implications.

NLP benchmarks have largely focused on short texts, such as sentences and paragraphs, even though long texts comprise a considerable amount of natural language in the wild. We introduce SCROLLS, a suite of tasks that require reasoning over long texts. We examine existing long-text datasets, and handpick ones where the text is naturally long, while prioritizing tasks that involve synthesizing information across the input. SCROLLS contains summarization, question answering, and natural language inference tasks, covering multiple domains, including literature, science, business, and entertainment. Initial baselines, including Longformer Encoder-Decoder, indicate that there is ample room for improvement on SCROLLS. We make all datasets available in a unified text-to-text format and host a live leaderboard to facilitate research on model architecture and pretraining methods.

This work investigates the use of smooth neural networks for modeling dynamic variations of implicit surfaces under partial differential equations (PDE). For this purpose, it extends the representation of neural implicit surfaces to the space-time $\mathbb{R}^3\times \mathbb{R}$, which opens up mechanisms for \textbf{continuous} geometric transformations. Examples include evolving an initial condition surface towards general vector fields, smoothing and sharpening using the mean curvature equation, and interpolations of initial conditions regularized by specific differential equations. The network training considers two constraints. A data term is responsible for fitting the PDE's initial condition to the corresponding time instant, usually $\mathbb{R}^3 \times \{0\}$. Then, a PDE term forces the network to approximate a solution of the underlying equation, \textbf{without any supervision}. The network can also be initialized based on previously trained initial conditions resulting in faster convergence when compared with the standard approach.

The main computational task of Scientific Machine Learning (SciML) is function regression, required both for inputs as well as outputs of a simulation. Physics-Informed Neural Networks (PINNs) and neural operators (such as DeepONet) have been very effective in solving Partial Differential Equations (PDEs), but they tax computational resources heavily and cannot be readily adopted for edge computing. Here, we address this issue by considering Spiking Neural Networks (SNNs), which have shown promise in reducing energy consumption by two orders of magnitude or more. We present a SNN-based method to perform regression, which has been a challenge due to the inherent difficulty in representing a function's input domain and continuous output values as spikes. We first propose a new method for encoding continuous values into spikes based on a triangular matrix in space and time, and demonstrate its better performance compared to the existing methods. Next, we demonstrate that using a simple SNN architecture consisting of Leaky Integrate and Fire (LIF) activation and two dense layers, we can achieve relatively accurate function regression results. Moreover, we can replace the LIF with a trained Multi-Layer Perceptron (MLP) network and obtain comparable results but three times faster. Then, we introduce the DeepONet, consisting of a branch (typically a Fully-connected Neural Network, FNN) for inputs and a trunk (also a FNN) for outputs. We can build a spiking DeepONet by either replacing the branch or the trunk by a SNN. We demonstrate this new approach for classification using the SNN in the branch, achieving results comparable to the literature. Finally, we design a spiking DeepONet for regression by replacing its trunk with a SNN, and achieve good accuracy for approximating functions as well as inferring solutions of differential equations.

Knowledge graph (KG) embedding is widely used in many downstream applications using KGs. Generally, since KGs contain only ground truth triples, it is necessary to construct arbitrary negative samples for representation learning of KGs. Recently, various methods for sampling high-quality negatives have been studied because the quality of negative triples has great effect on KG embedding. In this paper, we propose a novel method called Entity Aware Negative Sampling (EANS), which is able to sample negative entities resemble to positive one by adopting Gaussian distribution to the aligned entity index space. Additionally, we introduce auxiliary loss for false negative prediction that can alleviate the impact of the sampled false negative triples. The proposed method can generate high-quality negative samples regardless of negative sample size and effectively mitigate the influence of false negative samples. The experimental results on standard benchmarks show that our EANS outperforms existing the state-of-the-art methods of negative sampling on several knowledge graph embedding models. Moreover, the proposed method achieves competitive performance even when the number of negative samples is limited to only one.

Selective classification is the task of rejecting inputs a model would predict incorrectly on through a trade-off between input space coverage and model accuracy. Current methods for selective classification impose constraints on either the model architecture or the loss function; this inhibits their usage in practice. In contrast to prior work, we show that state-of-the-art selective classification performance can be attained solely from studying the (discretized) training dynamics of a model. We propose a general framework that, for a given test input, monitors metrics capturing the disagreement with the final predicted label over intermediate models obtained during training; we then reject data points exhibiting too much disagreement at late stages in training. In particular, we instantiate a method that tracks when the label predicted during training stops disagreeing with the final predicted label. Our experimental evaluation shows that our method achieves state-of-the-art accuracy/coverage trade-offs on typical selective classification benchmarks.

The demand for large-scale computational resources for Neural Architecture Search (NAS) has been lessened by tabular benchmarks for NAS. Evaluating NAS strategies is now possible on extensive search spaces and at a moderate computational cost. But so far, NAS has mainly focused on maximising performance on some hold-out validation/test set. However, energy consumption is a partially conflicting objective that should not be neglected. We hypothesise that constraining NAS to include the energy consumption of training the models could reveal a sub-space of undiscovered architectures that are more computationally efficient with a smaller carbon footprint. To support the hypothesis, an existing tabular benchmark for NAS is augmented with the energy consumption of each architecture. We then perform multi-objective optimisation that includes energy consumption as an additional objective. We demonstrate the usefulness of multi-objective NAS for uncovering the trade-off between performance and energy consumption as well as for finding more energy-efficient architectures. The updated tabular benchmark, EC-NAS-Bench, is open-sourced to encourage the further exploration of energy consumption-aware NAS.

The astounding success of these methods has made it imperative to obtain more explainable and trustworthy estimates from these models. In hydrology, basin characteristics can be noisy or missing, impacting streamflow prediction. For solving inverse problems in such applications, ensuring explainability is pivotal for tackling issues relating to data bias and large search space. We propose a probabilistic inverse model framework that can reconstruct robust hydrology basin characteristics from dynamic input weather driver and streamflow response data. We address two aspects of building more explainable inverse models, uncertainty estimation and robustness. This can help improve the trust of water managers, handling of noisy data and reduce costs. We propose uncertainty based learning method that offers 6\% improvement in $R^2$ for streamflow prediction (forward modeling) from inverse model inferred basin characteristic estimates, 17\% reduction in uncertainty (40\% in presence of noise) and 4\% higher coverage rate for basin characteristics.

Online inference is becoming a key service product for many businesses, deployed in cloud platforms to meet customer demands. Despite their revenue-generation capability, these services need to operate under tight Quality-of-Service (QoS) and cost budget constraints. This paper introduces KAIROS, a novel runtime framework that maximizes the query throughput while meeting QoS target and a cost budget. KAIROS designs and implements novel techniques to build a pool of heterogeneous compute hardware without online exploration overhead, and distribute inference queries optimally at runtime. Our evaluation using industry-grade deep learning (DL) models shows that KAIROS yields up to 2X the throughput of an optimal homogeneous solution, and outperforms state-of-the-art schemes by up to 70\%, despite advantageous implementations of the competing schemes to ignore their exploration overhead.

Leveraging task-aware annotated data as supervised signals to assist with self-supervised learning on large-scale unlabeled data has become a new trend in pre-training language models. Existing studies show that multi-task learning with large-scale supervised tasks suffers from negative effects across tasks. To tackle the challenge, we propose a task prefix guided multi-task pre-training framework to explore the relationships among tasks. We conduct extensive experiments on 40 datasets, which show that our model can not only serve as the strong foundation backbone for a wide range of tasks but also be feasible as a probing tool for analyzing task relationships. The task relationships reflected by the prefixes align transfer learning performance between tasks. They also suggest directions for data augmentation with complementary tasks, which help our model achieve human-parity results on commonsense reasoning leaderboards. Code is available at https://github.com/cooelf/CompassMTL

Machine learning on electromyography (EMG) has recently achieved remarkable success on a variety of tasks, while such success relies heavily on the assumption that the training and future data must be of the same data distribution. However, this assumption may not hold in many real-world applications. Model calibration is required via data re-collection and label annotation, which is generally very expensive and time-consuming. To address this problem, transfer learning (TL), which aims to improve target learners' performance by transferring the knowledge from related source domains, is emerging as a new paradigm to reduce the amount of calibration effort. In this survey, we assess the eligibility of more than fifty published peer-reviewed representative transfer learning approaches for EMG applications. Unlike previous surveys on purely transfer learning or EMG-based machine learning, this survey aims to provide an insight into the biological foundations of existing transfer learning methods on EMG-related analysis. In specific, we first introduce the physiological structure of the muscles and the EMG generating mechanism, and the recording of EMG to provide biological insights behind existing transfer learning approaches. Further, we categorize existing research endeavors into data based, model based, training scheme based, and adversarial based. This survey systematically summarizes and categorizes existing transfer learning approaches for EMG related machine learning applications. In addition, we discuss possible drawbacks of existing works and point out the future direction of better EMG transfer learning algorithms to enhance practicality for real-world applications.

Work on fast weight programmers has demonstrated the effectiveness of key/value outer product-based learning rules for sequentially generating a weight matrix (WM) of a neural net (NN) by another NN or itself. However, the weight generation steps are typically not visually interpretable by humans, because the contents stored in the WM of an NN are not. Here we apply the same principle to generate natural images. The resulting fast weight painters (FPAs) learn to execute sequences of delta learning rules to sequentially generate images as sums of outer products of self-invented keys and values, one rank at a time, as if each image was a WM of an NN. We train our FPAs in the generative adversarial networks framework, and evaluate on various image datasets. We show how these generic learning rules can generate images with respectable visual quality without any explicit inductive bias for images. While the performance largely lags behind the one of specialised state-of-the-art image generators, our approach allows for visualising how synaptic learning rules iteratively produce complex connection patterns, yielding human-interpretable meaningful images. Finally, we also show that an additional convolutional U-Net (now popular in diffusion models) at the output of an FPA can learn one-step "denoising" of FPA-generated images to enhance their quality. Our code is public.

The number of clinical citations received from clinical guidelines or clinical trials has been considered as one of the most appropriate indicators for quantifying the clinical impact of biomedical papers. Therefore, the early prediction of the clinical citation count of biomedical papers is critical to scientific activities in biomedicine, such as research evaluation, resource allocation, and clinical translation. In this study, we designed a four-layer multilayer perceptron neural network (MPNN) model to predict the clinical citation count of biomedical papers in the future by using 9,822,620 biomedical papers published from 1985 to 2005. We extracted ninety-one paper features from three dimensions as the input of the model, including twenty-one features in the paper dimension, thirty-five in the reference dimension, and thirty-five in the citing paper dimension. In each dimension, the features can be classified into three categories, i.e., the citation-related features, the clinical translation-related features, and the topic-related features. Besides, in the paper dimension, we also considered the features that have previously been demonstrated to be related to the citation counts of research papers. The results showed that the proposed MPNN model outperformed the other five baseline models, and the features in the reference dimension were the most important.

We consider the bandit optimization problem with the reward function defined over graph-structured data. This problem has important applications in molecule design and drug discovery, where the reward is naturally invariant to graph permutations. The key challenges in this setting are scaling to large domains, and to graphs with many nodes. We resolve these challenges by embedding the permutation invariance into our model. In particular, we show that graph neural networks (GNNs) can be used to estimate the reward function, assuming it resides in the Reproducing Kernel Hilbert Space of a permutation-invariant additive kernel. By establishing a novel connection between such kernels and the graph neural tangent kernel (GNTK), we introduce the first GNN confidence bound and use it to design a phased-elimination algorithm with sublinear regret. Our regret bound depends on the GNTK's maximum information gain, which we also provide a bound for. While the reward function depends on all $N$ node features, our guarantees are independent of the number of graph nodes $N$. Empirically, our approach exhibits competitive performance and scales well on graph-structured domains.

We introduce hybrid execution in multi-agent reinforcement learning (MARL), a new paradigm in which agents aim to successfully perform cooperative tasks with any communication level at execution time by taking advantage of information-sharing among the agents. Under hybrid execution, the communication level can range from a setting in which no communication is allowed between agents (fully decentralized), to a setting featuring full communication (fully centralized). To formalize our setting, we define a new class of multi-agent partially observable Markov decision processes (POMDPs) that we name hybrid-POMDPs, which explicitly models a communication process between the agents. We contribute MARO, an approach that combines an autoregressive predictive model to estimate missing agents' observations, and a dropout-based RL training scheme that simulates different communication levels during the centralized training phase. We evaluate MARO on standard scenarios and extensions of previous benchmarks tailored to emphasize the negative impact of partial observability in MARL. Experimental results show that our method consistently outperforms baselines, allowing agents to act with faulty communication while successfully exploiting shared information.

There still remains an extreme performance gap between Vision Transformers (ViTs) and Convolutional Neural Networks (CNNs) when training from scratch on small datasets, which is concluded to the lack of inductive bias. In this paper, we further consider this problem and point out two weaknesses of ViTs in inductive biases, that is, the spatial relevance and diverse channel representation. First, on spatial aspect, objects are locally compact and relevant, thus fine-grained feature needs to be extracted from a token and its neighbors. While the lack of data hinders ViTs to attend the spatial relevance. Second, on channel aspect, representation exhibits diversity on different channels. But the scarce data can not enable ViTs to learn strong enough representation for accurate recognition. To this end, we propose Dynamic Hybrid Vision Transformer (DHVT) as the solution to enhance the two inductive biases. On spatial aspect, we adopt a hybrid structure, in which convolution is integrated into patch embedding and multi-layer perceptron module, forcing the model to capture the token features as well as their neighboring features. On channel aspect, we introduce a dynamic feature aggregation module in MLP and a brand new "head token" design in multi-head self-attention module to help re-calibrate channel representation and make different channel group representation interacts with each other. The fusion of weak channel representation forms a strong enough representation for classification. With this design, we successfully eliminate the performance gap between CNNs and ViTs, and our DHVT achieves a series of state-of-the-art performance with a lightweight model, 85.68% on CIFAR-100 with 22.8M parameters, 82.3% on ImageNet-1K with 24.0M parameters. Code is available at https://github.com/ArieSeirack/DHVT.

In this paper, we introduce ControlVAE, a novel model-based framework for learning generative motion control policies based on variational autoencoders (VAE). Our framework can learn a rich and flexible latent representation of skills and a skill-conditioned generative control policy from a diverse set of unorganized motion sequences, which enables the generation of realistic human behaviors by sampling in the latent space and allows high-level control policies to reuse the learned skills to accomplish a variety of downstream tasks. In the training of ControlVAE, we employ a learnable world model to realize direct supervision of the latent space and the control policy. This world model effectively captures the unknown dynamics of the simulation system, enabling efficient model-based learning of high-level downstream tasks. We also learn a state-conditional prior distribution in the VAE-based generative control policy, which generates a skill embedding that outperforms the non-conditional priors in downstream tasks. We demonstrate the effectiveness of ControlVAE using a diverse set of tasks, which allows realistic and interactive control of the simulated characters.

Electrocardiogram (ECG), a technique for medical monitoring of cardiac activity, is an important method for identifying cardiovascular disease. However, analyzing the increasing quantity of ECG data consumes a lot of medical resources. This paper explores an effective algorithm for automatic classifications of multi-classes of heartbeat types based on ECG. Most neural network based methods target the individual heartbeats, ignoring the secrets embedded in the temporal sequence. And the ECG signal has temporal variation and unique individual characteristics, which means that the same type of ECG signal varies among patients under different physical conditions. A two-stream architecture is used in this paper and presents an enhanced version of ECG recognition based on this. The architecture achieves classification of holistic ECG signal and individual heartbeat and incorporates identified and temporal stream networks. Identified networks are used to extract features of individual heartbeats, while temporal networks aim to extract temporal correlations between heartbeats. Results on the MIT-BIH Arrhythmia Database demonstrate that the proposed algorithm performs an accuracy of 99.38\%. In addition, the proposed algorithm reaches an 88.07\% positive accuracy on massive data in real life, showing that the proposed algorithm can efficiently categorize different classes of heartbeat with high diagnostic performance.

In this paper, we study the classification problem by estimating the conditional probability function of the given data. Different from the traditional expected risk estimation theory on empirical data, we calculate the probability via Fredholm equation, this leads to estimate the distribution of the data. Based on the Fredholm equation, a new expected risk estimation theory by estimating the cumulative distribution function is presented. The main characteristics of the new expected risk estimation is to measure the risk on the distribution of the input space. The corresponding empirical risk estimation is also presented, and an $\varepsilon$-insensitive $L_{1}$ cumulative support vector machines ($\varepsilon$-$L_{1}$VSVM) is proposed by introducing an insensitive loss. It is worth mentioning that the classification models and the classification evaluation indicators based on the new mechanism are different from the traditional one. Experimental results show the effectiveness of the proposed $\varepsilon$-$L_{1}$VSVM and the corresponding cumulative distribution function indicator on validity and interpretability of small data classification.

We introduce a novel machine learning optimizer called LODO, which online meta-learns an implicit inverse Hessian of the loss as a subroutine of quasi-Newton optimization. Our optimizer merges Learning to Optimize (L2O) techniques with quasi-Newton methods to learn neural representations of symmetric matrix vector products, which are more flexible than those in other quasi-Newton methods. Unlike other L2O methods, ours does not require any meta-training on a training task distribution, and instead learns to optimize on the fly while optimizing on the test task, adapting to the local characteristics of the loss landscape while traversing it. Theoretically, we show that our optimizer approximates the inverse Hessian in noisy loss landscapes and is capable of representing a wide range of inverse Hessians. We experimentally verify our algorithm's performance in the presence of noise, and show that simpler alternatives for representing the inverse Hessians worsen performance. Lastly, we use our optimizer to train a semi-realistic deep neural network with 95k parameters, and obtain competitive results against standard neural network optimizers.

A Bayesian pseudocoreset is a small synthetic dataset for which the posterior over parameters approximates that of the original dataset. While promising, the scalability of Bayesian pseudocoresets is not yet validated in realistic problems such as image classification with deep neural networks. On the other hand, dataset distillation methods similarly construct a small dataset such that the optimization using the synthetic dataset converges to a solution with performance competitive with optimization using full data. Although dataset distillation has been empirically verified in large-scale settings, the framework is restricted to point estimates, and their adaptation to Bayesian inference has not been explored. This paper casts two representative dataset distillation algorithms as approximations to methods for constructing pseudocoresets by minimizing specific divergence measures: reverse KL divergence and Wasserstein distance. Furthermore, we provide a unifying view of such divergence measures in Bayesian pseudocoreset construction. Finally, we propose a novel Bayesian pseudocoreset algorithm based on minimizing forward KL divergence. Our empirical results demonstrate that the pseudocoresets constructed from these methods reflect the true posterior even in high-dimensional Bayesian inference problems.

Contextual bandits can solve a huge range of real-world problems. However, current popular algorithms to solve them either rely on linear models, or unreliable uncertainty estimation in non-linear models, which are required to deal with the exploration-exploitation trade-off. Inspired by theories of human cognition, we introduce novel techniques that use maximum entropy exploration, relying on neural networks to find optimal policies in settings with both continuous and discrete action spaces. We present two classes of models, one with neural networks as reward estimators, and the other with energy based models, which model the probability of obtaining an optimal reward given an action. We evaluate the performance of these models in static and dynamic contextual bandit simulation environments. We show that both techniques outperform well-known standard algorithms, where energy based models have the best overall performance. This provides practitioners with new techniques that perform well in static and dynamic settings, and are particularly well suited to non-linear scenarios with continuous action spaces.

This paper proposes a model that generates a drum track in the audio domain to play along to a user-provided drum-free recording. Specifically, using paired data of drumless tracks and the corresponding human-made drum tracks, we train a Transformer model to improvise the drum part of an unseen drumless recording. We combine two approaches to encode the input audio. First, we train a vector-quantized variational autoencoder (VQ-VAE) to represent the input audio with discrete codes, which can then be readily used in a Transformer. Second, using an audio-domain beat tracking model, we compute beat-related features of the input audio and use them as embeddings in the Transformer. Instead of generating the drum track directly as waveforms, we use a separate VQ-VAE to encode the mel-spectrogram of a drum track into another set of discrete codes, and train the Transformer to predict the sequence of drum-related discrete codes. The output codes are then converted to a mel-spectrogram with a decoder, and then to the waveform with a vocoder. We report both objective and subjective evaluations of variants of the proposed model, demonstrating that the model with beat information generates drum accompaniment that is rhythmically and stylistically consistent with the input audio.

Differential private (DP) mechanisms protect individual-level information by introducing randomness into the statistical analysis procedure. While there are now many DP tools for various statistical problems, there is still a lack of general techniques to understand the sampling distribution of a DP estimator, which is crucial for uncertainty quantification in statistical inference. We analyze a DP bootstrap procedure that releases multiple private bootstrap estimates to infer the sampling distribution and construct confidence intervals. Our privacy analysis includes new results on the privacy cost of a single DP bootstrap estimate applicable to incorporate arbitrary DP mechanisms and identifies some misuses of the bootstrap in the existing literature. We show that the release of $B$ DP bootstrap estimates from mechanisms satisfying $(\mu/\sqrt{(2-2/\mathrm{e})B})$-Gaussian DP asymptotically satisfies $\mu$-Gaussian DP as $B$ goes to infinity. We also develop a statistical procedure based on the DP bootstrap estimates to correctly infer the sampling distribution using techniques related to the deconvolution of probability measures, an approach which is novel in analyzing DP procedures. From our density estimate, we construct confidence intervals and compare them to existing methods through simulations and real-world experiments using the 2016 Canada Census Public Use Microdata. The coverage of our private confidence intervals achieves the nominal confidence level, while other methods fail to meet this guarantee.

Tabular data is among the oldest and most ubiquitous forms of data. However, the generation of synthetic samples with the original data's characteristics still remains a significant challenge for tabular data. While many generative models from the computer vision domain, such as autoencoders or generative adversarial networks, have been adapted for tabular data generation, less research has been directed towards recent transformer-based large language models (LLMs), which are also generative in nature. To this end, we propose GReaT (Generation of Realistic Tabular data), which exploits an auto-regressive generative LLM to sample synthetic and yet highly realistic tabular data. Furthermore, GReaT can model tabular data distributions by conditioning on any subset of features; the remaining features are sampled without additional overhead. We demonstrate the effectiveness of the proposed approach in a series of experiments that quantify the validity and quality of the produced data samples from multiple angles. We find that GReaT maintains state-of-the-art performance across many real-world data sets with heterogeneous feature types.

Brain-machine interfaces (BMIs) are promising for motor rehabilitation and mobility augmentation. High-accuracy and low-power algorithms are required to achieve implantable BMI systems. In this paper, we propose a novel spiking neural network (SNN) decoder for implantable BMI regression tasks. The SNN is trained with enhanced spatio-temporal backpropagation to fully leverage its ability in handling temporal problems. The proposed SNN decoder achieves the same level of correlation coefficient as the state-of-the-art ANN decoder in offline finger velocity decoding tasks, while it requires only 6.8% of the computation operations and 9.4% of the memory access.

Electrocardiogram (ECG) abnormalities are linked to cardiovascular diseases, but may also occur in other non-cardiovascular conditions such as mental, neurological, metabolic and infectious conditions. However, most of the recent success of deep learning (DL) based diagnostic predictions in selected patient cohorts have been limited to a small set of cardiac diseases. In this study, we use a population-based dataset of >250,000 patients with >1000 medical conditions and >2 million ECGs to identify a wide range of diseases that could be accurately diagnosed from the patient's first in-hospital ECG. Our DL models uncovered 128 diseases and 68 disease categories with strong discriminative performance.

We present a novel method for guaranteeing linear momentum in learned physics simulations. Unlike existing methods, we enforce conservation of momentum with a hard constraint, which we realize via antisymmetrical continuous convolutional layers. We combine these strict constraints with a hierarchical network architecture, a carefully constructed resampling scheme, and a training approach for temporal coherence. In combination, the proposed method allows us to increase the physical accuracy of the learned simulator substantially. In addition, the induced physical bias leads to significantly better generalization performance and makes our method more reliable in unseen test cases. We evaluate our method on a range of different, challenging fluid scenarios. Among others, we demonstrate that our approach generalizes to new scenarios with up to one million particles. Our results show that the proposed algorithm can learn complex dynamics while outperforming existing approaches in generalization and training performance. An implementation of our approach is available at https://github.com/tum-pbs/DMCF.

Creativity, i.e., the process of generating and developing fresh and original ideas or products that are useful or effective, is a valuable skill in a variety of domains. Creativity is called an essential 21st-century skill that should be taught in schools. The use of educational technology to promote creativity is an active study field, as evidenced by several studies linking creativity in the classroom to beneficial learning outcomes. Despite the burgeoning body of research on adaptive technology for education, mining creative thinking patterns from educational data remains a challenging task. In this paper, to address this challenge, we put the first step towards formalizing educational knowledge by constructing a domain-specific Knowledge Base to identify essential concepts, facts, and assumptions in identifying creative patterns. We then introduce a pipeline to contextualize the raw educational data, such as assessments and class activities. Finally, we present a rule-based approach to learning from the Knowledge Base, and facilitate mining creative thinking patterns from contextualized data and knowledge. We evaluate our approach with real-world datasets and highlight how the proposed pipeline can help instructors understand creative thinking patterns from students' activities and assessment tasks.

Consider the problem of improving the estimation of conditional average treatment effects (CATE) for a target domain of interest by leveraging related information from a source domain with a different feature space. This heterogeneous transfer learning problem for CATE estimation is ubiquitous in areas such as healthcare where we may wish to evaluate the effectiveness of a treatment for a new patient population for which different clinical covariates and limited data are available. In this paper, we address this problem by introducing several building blocks that use representation learning to handle the heterogeneous feature spaces and a flexible multi-task architecture with shared and private layers to transfer information between potential outcome functions across domains. Then, we show how these building blocks can be used to recover transfer learning equivalents of the standard CATE learners. On a new semi-synthetic data simulation benchmark for heterogeneous transfer learning we not only demonstrate performance improvements of our heterogeneous transfer causal effect learners across datasets, but also provide insights into the differences between these learners from a transfer perspective.

Ordinary Differential Equations (ODEs) have recently gained a lot of attention in machine learning. However, the theoretical aspects, e.g., identifiability and asymptotic properties of statistical estimation are still obscure. This paper derives a sufficient condition for the identifiability of homogeneous linear ODE systems from a sequence of equally-spaced error-free observations sampled from a single trajectory. When observations are disturbed by measurement noise, we prove that under mild conditions, the parameter estimator based on the Nonlinear Least Squares (NLS) method is consistent and asymptotic normal with $n^{-1/2}$ convergence rate. Based on the asymptotic normality property, we construct confidence sets for the unknown system parameters and propose a new method to infer the causal structure of the ODE system, i.e., inferring whether there is a causal link between system variables. Furthermore, we extend the results to degraded observations, including aggregated and time-scaled ones. To the best of our knowledge, our work is the first systematic study of the identifiability and asymptotic properties in learning linear ODE systems. We also construct simulations with various system dimensions to illustrate the established theoretical results.

Likelihood-to-evidence ratio estimation is usually cast as either a binary (NRE-A) or a multiclass (NRE-B) classification task. In contrast to the binary classification framework, the current formulation of the multiclass version has an intrinsic and unknown bias term, making otherwise informative diagnostics unreliable. We propose a multiclass framework free from the bias inherent to NRE-B at optimum, leaving us in the position to run diagnostics that practitioners depend on. It also recovers NRE-A in one corner case and NRE-B in the limiting case. For fair comparison, we benchmark the behavior of all algorithms in both familiar and novel training regimes: when jointly drawn data is unlimited, when data is fixed but prior draws are unlimited, and in the commonplace fixed data and parameters setting. Our investigations reveal that the highest performing models are distant from the competitors (NRE-A, NRE-B) in hyperparameter space. We make a recommendation for hyperparameters distinct from the previous models. We suggest a bound on the mutual information as a performance metric for simulation-based inference methods, without the need for posterior samples, and provide experimental results.

Audio DeepFakes are utterances generated with the use of deep neural networks. They are highly misleading and pose a threat due to use in fake news, impersonation, or extortion. In this work, we focus on increasing accessibility to the audio DeepFake detection methods by providing SpecRNet, a neural network architecture characterized by a quick inference time and low computational requirements. Our benchmark shows that SpecRNet, requiring up to about 40% less time to process an audio sample, provides performance comparable to LCNN architecture - one of the best audio DeepFake detection models. Such a method can not only be used by online multimedia services to verify a large bulk of content uploaded daily but also, thanks to its low requirements, by average citizens to evaluate materials on their devices. In addition, we provide benchmarks in three unique settings that confirm the correctness of our model. They reflect scenarios of low-resource datasets, detection on short utterances and limited attacks benchmark in which we take a closer look at the influence of particular attacks on given architectures.

Graph neural networks (GNNs) have shown remarkable performance on diverse graph mining tasks. Although different GNNs can be unified as the same message passing framework, they learn complementary knowledge from the same graph. Knowledge distillation (KD) is developed to combine the diverse knowledge from multiple models. It transfers knowledge from high-capacity teachers to a lightweight student. However, to avoid oversmoothing, GNNs are often shallow, which deviates from the setting of KD. In this context, we revisit KD by separating its benefits from model compression and emphasizing its power of transferring knowledge. To this end, we need to tackle two challenges: how to transfer knowledge from compact teachers to a student with the same capacity; and, how to exploit student GNN's own strength to learn knowledge. In this paper, we propose a novel adaptive KD framework, called BGNN, which sequentially transfers knowledge from multiple GNNs into a student GNN. We also introduce an adaptive temperature module and a weight boosting module. These modules guide the student to the appropriate knowledge for effective learning. Extensive experiments have demonstrated the effectiveness of BGNN. In particular, we achieve up to 3.05% improvement for node classification and 7.67% improvement for graph classification over vanilla GNNs.

The exploration--exploitation trade-off in reinforcement learning (RL) is a well-known and much-studied problem that balances greedy action selection with novel experience, and the study of exploration methods is usually only considered in the context of learning the optimal policy for a single learning task. However, in the context of online task transfer, where there is a change to the task during online operation, we hypothesize that exploration strategies that anticipate the need to adapt to future tasks can have a pronounced impact on the efficiency of transfer. As such, we re-examine the exploration--exploitation trade-off in the context of transfer learning. In this work, we review reinforcement learning exploration methods, define a taxonomy with which to organize them, analyze these methods' differences in the context of task transfer, and suggest avenues for future investigation.

In the last decade, recent successes in deep clustering majorly involved the mutual information (MI) as an unsupervised objective for training neural networks with increasing regularisations. While the quality of the regularisations have been largely discussed for improvements, little attention has been dedicated to the relevance of MI as a clustering objective. In this paper, we first highlight how the maximisation of MI does not lead to satisfying clusters. We identified the Kullback-Leibler divergence as the main reason of this behaviour. Hence, we generalise the mutual information by changing its core distance, introducing the generalised mutual information (GEMINI): a set of metrics for unsupervised neural network training. Unlike MI, some GEMINIs do not require regularisations when training. Some of these metrics are geometry-aware thanks to distances or kernels in the data space. Finally, we highlight that GEMINIs can automatically select a relevant number of clusters, a property that has been little studied in deep clustering context where the number of clusters is a priori unknown.

We articulate the design imperatives for machine-learning based digital twins for nonlinear dynamical systems subject to external driving, which can be used to monitor the ``health'' of the target system and anticipate its future collapse. We demonstrate that, with single or parallel reservoir computing configurations, the digital twins are capable of challenging forecasting and monitoring tasks. Employing prototypical systems from climate, optics and ecology, we show that the digital twins can extrapolate the dynamics of the target system to certain parameter regimes never experienced before, make continual forecasting/monitoring with sparse real-time updates under non-stationary external driving, infer hidden variables and accurately predict their dynamical evolution, adapt to different forms of external driving, and extrapolate the global bifurcation behaviors to systems of some different sizes. These features make our digital twins appealing in significant applications such as monitoring the health of critical systems and forecasting their potential collapse induced by environmental changes.

Federated learning (FL) is a privacy-aware data mining strategy keeping the private data on the owners' machine and thereby confidential. The clients compute local models and send them to an aggregator which computes a global model. In hybrid FL, the local parameters are additionally masked using secure aggregation, such that only the global aggregated statistics become available in clear text, not the client specific updates. Federated QR decomposition has not been studied extensively in the context of cross-silo federated learning. In this article, we investigate the suitability of three QR decomposition algorithms for cross-silo FL and suggest a privacy-aware QR decomposition scheme based on the Gram-Schmidt algorithm which does not blatantly leak raw data. We apply the algorithm to compute linear regression in a federated manner.

In recent years, maximization of DR-submodular continuous functions became an important research field, with many real-worlds applications in the domains of machine learning, communication systems, operation research and economics. Most of the works in this field study maximization subject to down-closed convex set constraints due to an inapproximability result by Vondr\'ak (2013). However, Durr et al. (2021) showed that one can bypass this inapproximability by proving approximation ratios that are functions of $m$, the minimum $\ell_{\infty}$-norm of any feasible vector. Given this observation, it is possible to get results for maximizing a DR-submodular function subject to general convex set constraints, which has led to multiple works on this problem. The most recent of which is a polynomial time $\tfrac{1}{4}(1 - m)$-approximation offline algorithm due to Du (2022). However, only a sub-exponential time $\tfrac{1}{3\sqrt{3}}(1 - m)$-approximation algorithm is known for the corresponding online problem. In this work, we present a polynomial time online algorithm matching the $\tfrac{1}{4}(1 - m)$-approximation of the state-of-the-art offline algorithm. We also present an inapproximability result showing that our online algorithm and Du's (2022) offline algorithm are both optimal in a strong sense. Finally, we study the empirical performance of our algorithm and the algorithm of Du (which was only theoretically studied previously), and show that they consistently outperform previously suggested algorithms on revenue maximization, location summarization and quadratic programming applications.

Referred to as the third rung of the causal inference ladder, counterfactual queries typically ask the "What if ?" question retrospectively. The standard approach to estimate counterfactuals resides in using a structural equation model that accurately reflects the underlying data generating process. However, such models are seldom available in practice and one usually wishes to infer them from observational data alone. Unfortunately, the correct structural equation model is in general not identifiable from the observed factual distribution. Nevertheless, in this work, we show that under the assumption that the main latent contributors to the treatment responses are categorical, the counterfactuals can be still reliably predicted. Building upon this assumption, we introduce CounterFactual Query Prediction (CFQP), a novel method to infer counterfactuals from continuous observations when the background variables are categorical. We show that our method significantly outperforms previously available deep-learning-based counterfactual methods, both theoretically and empirically on time series and image data. Our code is available at https://github.com/edebrouwer/cfqp.

A generative adversarial network (GAN) is a class of machine learning frameworks designed by Goodfellow et al. in 2014. In the GAN framework, the generative model is pitted against an adversary: a discriminative model that learns to determine whether a sample is from the model distribution or the data distribution. GAN generates new samples from the same distribution as the training set. In this work, we aim to generate a new dataset that has a different distribution from the training set. In addition, the Jensen-Shannon divergence between the distributions of the generative and training datasets can be controlled by some target $\delta \in [0, 1]$. Our work is motivated by applications in generating new kinds of rice that have similar characteristics as good rice.

Optimal resource allocation is gaining a renewed interest due its relevance as a core problem in managing, over time, cloud and high-performance computing facilities. Semi-Bandit Feedback (SBF) is the reference method for efficiently solving this problem. In this paper we propose (i) an extension of the optimal resource allocation to a more general class of problems, specifically with resources availability changing over time, and (ii) Bayesian Optimization as a more efficient alternative to SBF. Three algorithms for Bayesian Optimization for Resource Allocation, namely BORA, are presented, working on allocation decisions represented as numerical vectors or distributions. The second option required to consider the Wasserstein distance as a more suitable metric to use into one of the BORA algorithms. Results on (i) the original SBF case study proposed in the literature, and (ii) a real-life application (i.e., the optimization of multi-channel marketing) empirically prove that BORA is a more efficient and effective learning-and-optimization framework than SBF.

Many water-quality monitoring programs aim to measure turbidity to help guide effective management of waterways and catchments, yet distributing turbidity sensors throughout networks is typically cost prohibitive. To this end, we built and compared the ability of dynamic regression (ARIMA), long short-term memory neural nets (LSTM), and generalized additive models (GAM) to forecast stream turbidity one step ahead, using surrogate data from relatively low-cost in-situ sensors and publicly available databases. We iteratively trialled combinations of four surrogate covariates (rainfall, water level, air temperature and total global solar exposure) selecting a final model for each type that minimised the corrected Akaike Information Criterion. Cross-validation using a rolling time-window indicated that ARIMA, which included the rainfall and water-level covariates only, produced the most accurate predictions, followed closely by GAM, which included all four covariates. We constructed a meta-model, trained on time-series features of turbidity, to take advantage of the strengths of each model over different time points and predict the best model (that with the lowest forecast error one-step prior) for each time step. The meta-model outperformed all other models, indicating that this methodology can yield high accuracy and may be a viable alternative to using measurements sourced directly from turbidity-sensors where costs prohibit their deployment and maintenance, and when predicting turbidity across the short term. Our findings also indicated that temperature and light-associated variables, for example underwater illuminance, may hold promise as cost-effective, high-frequency surrogates of turbidity, especially when combined with other covariates, like rainfall, that are typically measured at coarse levels of spatial resolution.

Recent studies reveal that a well-trained deep reinforcement learning (RL) policy can be particularly vulnerable to adversarial perturbations on input observations. Therefore, it is crucial to train RL agents that are robust against any attacks with a bounded budget. Existing robust training methods in deep RL either treat correlated steps separately, ignoring the robustness of long-term rewards, or train the agents and RL-based attacker together, doubling the computational burden and sample complexity of the training process. In this work, we propose a strong and efficient robust training framework for RL, named Worst-case-aware Robust RL (WocaR-RL) that directly estimates and optimizes the worst-case reward of a policy under bounded l_p attacks without requiring extra samples for learning an attacker. Experiments on multiple environments show that WocaR-RL achieves state-of-the-art performance under various strong attacks, and obtains significantly higher training efficiency than prior state-of-the-art robust training methods. The code of this work is available at https://github.com/umd-huang-lab/WocaR-RL.

In a backdoor attack, an attacker injects corrupted examples into the training set. The goal of the attacker is to cause the final trained model to predict the attacker's desired target label when a predefined trigger is added to test inputs. Central to these attacks is the trade-off between the success rate of the attack and the number of corrupted training examples injected. We pose this attack as a novel bilevel optimization problem: construct strong poison examples that maximize the attack success rate of the trained model. We use neural tangent kernels to approximate the training dynamics of the model being attacked and automatically learn strong poison examples. We experiment on subclasses of CIFAR-10 and ImageNet with WideResNet-34 and ConvNeXt architectures on periodic and patch trigger attacks and show that NTBA-designed poisoned examples achieve, for example, an attack success rate of 90% with ten times smaller number of poison examples injected compared to the baseline. We provided an interpretation of the NTBA-designed attacks using the analysis of kernel linear regression. We further demonstrate a vulnerability in overparametrized deep neural networks, which is revealed by the shape of the neural tangent kernel.

Multi-task learning (MTL) aims to improve the generalization performance of multiple tasks by exploiting the shared factors among them. Various metrics (e.g., F-score, Area Under the ROC Curve) are used to evaluate the performances of MTL methods. Most existing MTL methods try to minimize either the misclassified errors for classification or the mean squared errors for regression. In this paper, we propose a method to directly optimize the evaluation metrics for a large family of MTL problems. The formulation of MTL that directly optimizes evaluation metrics is the combination of two parts: (1) a regularizer defined on the weight matrix over all tasks, in order to capture the relatedness of these tasks; (2) a sum of multiple structured hinge losses, each corresponding to a surrogate of some evaluation metric on one task. This formulation is challenging in optimization because both of its parts are non-smooth. To tackle this issue, we propose a novel optimization procedure based on the alternating direction scheme of multipliers, where we decompose the whole optimization problem into a sub-problem corresponding to the regularizer and another sub-problem corresponding to the structured hinge losses. For a large family of MTL problems, the first sub-problem has closed-form solutions. To solve the second sub-problem, we propose an efficient primal-dual algorithm via coordinate ascent. Extensive evaluation results demonstrate that, in a large family of MTL problems, the proposed MTL method of directly optimization evaluation metrics has superior performance gains against the corresponding baseline methods.

Distributional assumptions have been shown to be necessary for the robust learnability of concept classes when considering the exact-in-the-ball robust risk and access to random examples by Gourdeau et al. (2019). In this paper, we study learning models where the learner is given more power through the use of local queries, and give the first distribution-free algorithms that perform robust empirical risk minimization (ERM) for this notion of robustness. The first learning model we consider uses local membership queries (LMQ), where the learner can query the label of points near the training sample. We show that, under the uniform distribution, LMQs do not increase the robustness threshold of conjunctions and any superclass, e.g., decision lists and halfspaces. Faced with this negative result, we introduce the local equivalence query (LEQ) oracle, which returns whether the hypothesis and target concept agree in the perturbation region around a point in the training sample, as well as a counterexample if it exists. We show a separation result: on one hand, if the query radius $\lambda$ is strictly smaller than the adversary's perturbation budget $\rho$, then distribution-free robust learning is impossible for a wide variety of concept classes; on the other hand, the setting $\lambda=\rho$ allows us to develop robust ERM algorithms. We then bound the query complexity of these algorithms based on online learning guarantees and further improve these bounds for the special case of conjunctions. We finish by giving robust learning algorithms for halfspaces with margins on both $\{0,1\}^n$ and $\mathbb{R}^n$.

Understanding dynamics from visual observations is a challenging problem that requires disentangling individual objects from the scene and learning their interactions. While recent object-centric models can successfully decompose a scene into objects, modeling their dynamics effectively still remains a challenge. We address this problem by introducing SlotFormer -- a Transformer-based autoregressive model operating on learned object-centric representations. Given a video clip, our approach reasons over object features to model spatio-temporal relationships and predicts accurate future object states. In this paper, we successfully apply SlotFormer to perform video prediction on datasets with complex object interactions. Moreover, the unsupervised SlotFormer's dynamics model can be used to improve the performance on supervised downstream tasks, such as Visual Question Answering (VQA), and goal-conditioned planning. Compared to past works on dynamics modeling, our method achieves significantly better long-term synthesis of object dynamics, while retaining high quality visual generation. Besides, SlotFormer enables VQA models to reason about the future without object-level labels, even outperforming counterparts that use ground-truth annotations. Finally, we show its ability to serve as a world model for model-based planning, which is competitive with methods designed specifically for such tasks.

We explore the fairness issue that arises in recommender systems. Biased data due to inherent stereotypes of particular groups (e.g., male students' average rating on mathematics is often higher than that on humanities, and vice versa for females) may yield a limited scope of suggested items to a certain group of users. Our main contribution lies in the introduction of a novel fairness notion (that we call equal experience), which can serve to regulate such unfairness in the presence of biased data. The notion captures the degree of the equal experience of item recommendations across distinct groups. We propose an optimization framework that incorporates the fairness notion as a regularization term, as well as introduce computationally-efficient algorithms that solve the optimization. Experiments on synthetic and benchmark real datasets demonstrate that the proposed framework can indeed mitigate such unfairness while exhibiting a minor degradation of recommendation accuracy.

We present TetGAN, a convolutional neural network designed to generate tetrahedral meshes. We represent shapes using an irregular tetrahedral grid which encodes an occupancy and displacement field. Our formulation enables defining tetrahedral convolution, pooling, and upsampling operations to synthesize explicit mesh connectivity with variable topological genus. The proposed neural network layers learn deep features over each tetrahedron and learn to extract patterns within spatial regions across multiple scales. We illustrate the capabilities of our technique to encode tetrahedral meshes into a semantically meaningful latent-space which can be used for shape editing and synthesis. Our project page is at https://threedle.github.io/tetGAN/.

Variational inequalities are a broad formalism that encompasses a vast number of applications. Motivated by applications in machine learning and beyond, stochastic methods are of great importance. In this paper we consider the problem of stochastic finite-sum cocoercive variational inequalities. For this class of problems, we investigate the convergence of the method based on the SARAH variance reduction technique. We show that for strongly monotone problems it is possible to achieve linear convergence to a solution using this method. Experiments confirm the importance and practical applicability of our approach.

Improving the generalization of deep networks is an important open challenge, particularly in domains without plentiful data. The mixup algorithm improves generalization by linearly interpolating a pair of examples and their corresponding labels. These interpolated examples augment the original training set. Mixup has shown promising results in various classification tasks, but systematic analysis of mixup in regression remains underexplored. Using mixup directly on regression labels can result in arbitrarily incorrect labels. In this paper, we propose a simple yet powerful algorithm, C-Mixup, to improve generalization on regression tasks. In contrast with vanilla mixup, which picks training examples for mixing with uniform probability, C-Mixup adjusts the sampling probability based on the similarity of the labels. Our theoretical analysis confirms that C-Mixup with label similarity obtains a smaller mean square error in supervised regression and meta-regression than vanilla mixup and using feature similarity. Another benefit of C-Mixup is that it can improve out-of-distribution robustness, where the test distribution is different from the training distribution. By selectively interpolating examples with similar labels, it mitigates the effects of domain-associated information and yields domain-invariant representations. We evaluate C-Mixup on eleven datasets, ranging from tabular to video data. Compared to the best prior approach, C-Mixup achieves 6.56%, 4.76%, 5.82% improvements in in-distribution generalization, task generalization, and out-of-distribution robustness, respectively. Code is released at https://github.com/huaxiuyao/C-Mixup.

MuZero Unplugged presents a promising approach for offline policy learning from logged data. It conducts Monte-Carlo Tree Search (MCTS) with a learned model and leverages Reanalyze algorithm to learn purely from offline data. For good performance, MCTS requires accurate learned models and a large number of simulations, thus costing huge computing time. This paper investigates a few hypotheses where MuZero Unplugged may not work well under the offline RL settings, including 1) learning with limited data coverage; 2) learning from offline data of stochastic environments; 3) improperly parameterized models given the offline data; 4) with a low compute budget. We propose to use a regularized one-step look-ahead approach to tackle the above issues. Instead of planning with the expensive MCTS, we use the learned model to construct an advantage estimation based on a one-step rollout. Policy improvements are towards the direction that maximizes the estimated advantage with regularization of the dataset. We conduct extensive empirical studies with BSuite environments to verify the hypotheses and then run our algorithm on the RL Unplugged Atari benchmark. Experimental results show that our proposed approach achieves stable performance even with an inaccurate learned model. On the large-scale Atari benchmark, the proposed method outperforms MuZero Unplugged by 43%. Most significantly, it uses only 5.6% wall-clock time (i.e., 1 hour) compared to MuZero Unplugged (i.e., 17.8 hours) to achieve a 150% IQM normalized score with the same hardware and software stacks.

Over the last century, risk scores have been the most popular form of predictive model used in healthcare and criminal justice. Risk scores are sparse linear models with integer coefficients; often these models can be memorized or placed on an index card. Typically, risk scores have been created either without data or by rounding logistic regression coefficients, but these methods do not reliably produce high-quality risk scores. Recent work used mathematical programming, which is computationally slow. We introduce an approach for efficiently producing a collection of high-quality risk scores learned from data. Specifically, our approach produces a pool of almost-optimal sparse continuous solutions, each with a different support set, using a beam-search algorithm. Each of these continuous solutions is transformed into a separate risk score through a "star ray" search, where a range of multipliers are considered before rounding the coefficients sequentially to maintain low logistic loss. Our algorithm returns all of these high-quality risk scores for the user to consider. This method completes within minutes and can be valuable in a broad variety of applications.

Supervised learning algorithms generally assume the availability of enough memory to store data models during the training and test phases. However, this assumption is unrealistic when data comes in the form of infinite data streams, or when learning algorithms are deployed on devices with reduced amounts of memory. Such memory constraints impact the model behavior and assumptions. In this paper, we show that under memory constraints, increasing the size of a tree-based ensemble classifier can worsen its performance. In particular, we experimentally show the existence of an optimal ensemble size for a memory-bounded Mondrian forest on data streams and we design an algorithm to guide the forest toward that optimal number by using an estimation of overfitting. We tested different variations for this algorithm on a variety of real and simulated datasets, and we conclude that our method can achieve up to 95% of the performance of an optimally-sized Mondrian forest for stable datasets, and can even outperform it for datasets with concept drifts. All our methods are implemented in the OrpailleCC open-source library and are ready to be used on embedded systems and connected objects.

Hateful memes are a growing menace on social media. While the image and its corresponding text in a meme are related, they do not necessarily convey the same meaning when viewed individually. Hence, detecting hateful memes requires careful consideration of both visual and textual information. Multimodal pre-training can be beneficial for this task because it effectively captures the relationship between the image and the text by representing them in a similar feature space. Furthermore, it is essential to model the interactions between the image and text features through intermediate fusion. Most existing methods either employ multimodal pre-training or intermediate fusion, but not both. In this work, we propose the Hate-CLIPper architecture, which explicitly models the cross-modal interactions between the image and text representations obtained using Contrastive Language-Image Pre-training (CLIP) encoders via a feature interaction matrix (FIM). A simple classifier based on the FIM representation is able to achieve state-of-the-art performance on the Hateful Memes Challenge (HMC) dataset with an AUROC of 85.8, which even surpasses the human performance of 82.65. Experiments on other meme datasets such as Propaganda Memes and TamilMemes also demonstrate the generalizability of the proposed approach. Finally, we analyze the interpretability of the FIM representation and show that cross-modal interactions can indeed facilitate the learning of meaningful concepts. The code for this work is available at https://github.com/gokulkarthik/hateclipper.

We study the finite-time behaviour of the popular temporal difference (TD) learning algorithm when combined with tail-averaging. We derive finite time bounds on the parameter error of the tail-averaged TD iterate under a step-size choice that does not require information about the eigenvalues of the matrix underlying the projected TD fixed point. Our analysis shows that tail-averaged TD converges at the optimal $O\left(1/t\right)$ rate, both in expectation and with high probability. In addition, our bounds exhibit a sharper rate of decay for the initial error (bias), which is an improvement over averaging all iterates. We also propose and analyse a variant of TD that incorporates regularisation. From analysis, we conclude that the regularised version of TD is useful for problems with ill-conditioned features.

The development of state-of-the-art systems in different applied areas of machine learning (ML) is driven by benchmarks, which have shaped the paradigm of evaluating generalisation capabilities from multiple perspectives. Although the paradigm is shifting towards more fine-grained evaluation across diverse tasks, the delicate question of how to aggregate the performances has received particular interest in the community. In general, benchmarks follow the unspoken utilitarian principles, where the systems are ranked based on their mean average score over task-specific metrics. Such aggregation procedure has been viewed as a sub-optimal evaluation protocol, which may have created the illusion of progress. This paper proposes Vote'n'Rank, a framework for ranking systems in multi-task benchmarks under the principles of the social choice theory. We demonstrate that our approach can be efficiently utilised to draw new insights on benchmarking in several ML sub-fields and identify the best-performing systems in research and development case studies. The Vote'n'Rank's procedures are more robust than the mean average while being able to handle missing performance scores and determine conditions under which the system becomes the winner.

Reinforcement learning (RL) algorithms have achieved notable success in recent years, but still struggle with fundamental issues in long-term credit assignment. It remains difficult to learn in situations where success is contingent upon multiple critical steps that are distant in time from each other and from a sparse reward; as is often the case in real life. Moreover, how RL algorithms assign credit in these difficult situations is typically not coded in a way that can rapidly generalize to new situations. Here, we present an approach using offline contrastive learning, which we call contrastive introspection (ConSpec), that can be added to any existing RL algorithm and addresses both issues. In ConSpec, a contrastive loss is used during offline replay to identify invariances among successful episodes. This takes advantage of the fact that it is easier to retrospectively identify the small set of steps that success is contingent upon than it is to prospectively predict reward at every step taken in the environment. ConSpec stores this knowledge in a collection of prototypes summarizing the intermediate states required for success. During training, arrival at any state that matches these prototypes generates an intrinsic reward that is added to any external rewards. As well, the reward shaping provided by ConSpec can be made to preserve the optimal policy of the underlying RL agent. The prototypes in ConSpec provide two key benefits for credit assignment: (1) They enable rapid identification of all the critical states. (2) They do so in a readily interpretable manner, enabling out of distribution generalization when sensory features are altered. In summary, ConSpec is a modular system that can be added to any existing RL algorithm to improve its long-term credit assignment.

Deep neural networks (DNNs) have been shown to be vulnerable to adversarial examples, which can produce erroneous predictions by injecting imperceptible perturbations. In this work, we study the transferability of adversarial examples, which is significant due to its threat to real-world applications where model architecture or parameters are usually unknown. Many existing works reveal that the adversarial examples are likely to overfit the surrogate model that they are generated from, limiting its transfer attack performance against different target models. To mitigate the overfitting of the surrogate model, we propose a novel attack method, dubbed reverse adversarial perturbation (RAP). Specifically, instead of minimizing the loss of a single adversarial point, we advocate seeking adversarial example located at a region with unified low loss value, by injecting the worst-case perturbation (the reverse adversarial perturbation) for each step of the optimization procedure. The adversarial attack with RAP is formulated as a min-max bi-level optimization problem. By integrating RAP into the iterative process for attacks, our method can find more stable adversarial examples which are less sensitive to the changes of decision boundary, mitigating the overfitting of the surrogate model. Comprehensive experimental comparisons demonstrate that RAP can significantly boost adversarial transferability. Furthermore, RAP can be naturally combined with many existing black-box attack techniques, to further boost the transferability. When attacking a real-world image recognition system, Google Cloud Vision API, we obtain 22% performance improvement of targeted attacks over the compared method. Our codes are available at https://github.com/SCLBD/Transfer_attack_RAP.

Image composition aims to blend multiple objects to form a harmonized image. Existing approaches often assume precisely segmented and intact objects. Such assumptions, however, are hard to satisfy in unconstrained scenarios. We present Amodal Instance Composition for compositing imperfect -- potentially incomplete and/or coarsely segmented -- objects onto a target image. We first develop object shape prediction and content completion modules to synthesize the amodal contents. We then propose a neural composition model to blend the objects seamlessly. Our primary technical novelty lies in using separate foreground/background representations and blending mask prediction to alleviate segmentation errors. Our results show state-of-the-art performance on public COCOA and KINS benchmarks and attain favorable visual results across diverse scenes. We demonstrate various image composition applications such as object insertion and de-occlusion.

Knowledge distillation is an effective machine learning technique to transfer knowledge from a teacher model to a smaller student model, especially with unlabeled data. In this paper, we focus on knowledge distillation for the RNN-T model, which is widely used in state-of-the-art (SoTA) automatic speech recognition (ASR). Specifically, we compared using soft and hard target distillation to train large-scaleRNN-T models on the LibriSpeech/LibriLight public dataset (60k hours) and our in-house data (600k hours). We found that hard tar-gets are more effective when the teacher and student have different architecture, such as large teacher and small streaming student. On the other hand, soft target distillation works better in self-training scenario like iterative large teacher training. For a large model with0.6B weights, we achieve a new SoTA word error rate (WER) on LibriSpeech (8% relative improvement on dev-other) using Noisy Student Training with soft target distillation. It also allows our production teacher to adapt new data domain continuously.

Coded/uncoded content placement in Mobile Edge Caching (MEC) has evolved as an efficient solution to meet the significant growth of global mobile data traffic by boosting the content diversity in the storage of caching nodes. To meet the dynamic nature of the historical request pattern of multimedia contents, the main focus of recent researches has been shifted to develop data-driven and real-time caching schemes. In this regard and with the assumption that users' preferences remain unchanged over a short horizon, the Top-K popular contents are identified as the output of the learning model. Most existing datadriven popularity prediction models, however, are not suitable for the coded/uncoded content placement frameworks. On the one hand, in coded/uncoded content placement, in addition to classifying contents into two groups, i.e., popular and nonpopular, the probability of content request is required to identify which content should be stored partially/completely, where this information is not provided by existing data-driven popularity prediction models. On the other hand, the assumption that users' preferences remain unchanged over a short horizon only works for content with a smooth request pattern. To tackle these challenges, we develop a Multiple-model (hybrid) Transformer-based Edge Caching (MTEC) framework with higher generalization ability, suitable for various types of content with different time-varying behavior, that can be adapted with coded/uncoded content placement frameworks. Simulation results corroborate the effectiveness of the proposed MTEC caching framework in comparison to its counterparts in terms of the cache-hit ratio, classification accuracy, and the transferred byte volume.

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems. In our approach, the user defines directly in Python a function $F$ capturing the optimality conditions of the problem to be differentiated. Once this is done, we leverage autodiff of $F$ and the implicit function theorem to automatically differentiate the optimization problem. Our approach thus combines the benefits of implicit differentiation and autodiff. It is efficient as it can be added on top of any state-of-the-art solver and modular as the optimality condition specification is decoupled from the implicit differentiation mechanism. We show that seemingly simple principles allow to recover many existing implicit differentiation methods and create new ones easily. We demonstrate the ease of formulating and solving bi-level optimization problems using our framework. We also showcase an application to the sensitivity analysis of molecular dynamics.

Batch Normalization is an essential component of all state-of-the-art neural networks architectures. However, since it introduces many practical issues, much recent research has been devoted to designing normalization-free architectures. In this paper, we show that weights initialization is key to train ResNet-like normalization-free networks. In particular, we propose a slight modification to the summation operation of a block output to the skip-connection branch, so that the whole network is correctly initialized. We show that this modified architecture achieves competitive results on CIFAR-10, CIFAR-100 and ImageNet without further regularization nor algorithmic modifications.

Distributionally Robust Optimization (DRO), as a popular method to train robust models against distribution shift between training and test sets, has received tremendous attention in recent years. In this paper, we propose and analyze stochastic algorithms that apply to both non-convex and convex losses for solving Kullback Leibler divergence constrained DRO problem. Compared with existing methods solving this problem, our stochastic algorithms not only enjoy competitive if not better complexity independent of sample size but also just require a constant batch size at every iteration, which is more practical for broad applications. We establish a nearly optimal complexity bound for finding an $\epsilon$ stationary solution for non-convex losses and an optimal complexity for finding an $\epsilon$ optimal solution for convex losses. Empirical studies demonstrate the effectiveness of the proposed algorithms for solving non-convex and convex constrained DRO problems.

Homodyned K (HK) distribution has been widely used to describe the scattering phenomena arising in various research fields, such as ultrasound imaging or optics. In this work, we propose a machine learning based approach to the estimation of the HK distribution parameters. We develop neural networks that can estimate the HK distribution parameters based on the signal-to-noise ratio, skewness and kurtosis calculated using fractional-order moments. Compared to the previous approaches, we consider the orders of the moments as trainable variables that can be optimized along with the network weights using the back-propagation algorithm. Networks are trained based on samples generated from the HK distribution. Obtained results demonstrate that the proposed method can be used to accurately estimate the HK distribution parameters.

Random Forest (Breiman, 2001) is a successful and widely used regression and classification algorithm. Part of its appeal and reason for its versatility is its (implicit) construction of a kernel-type weighting function on training data, which can also be used for targets other than the original mean estimation. We propose a novel forest construction for multivariate responses based on their joint conditional distribution, independent of the estimation target and the data model. It uses a new splitting criterion based on the MMD distributional metric, which is suitable for detecting heterogeneity in multivariate distributions. The induced weights define an estimate of the full conditional distribution, which in turn can be used for arbitrary and potentially complicated targets of interest. The method is very versatile and convenient to use, as we illustrate on a wide range of examples. The code is available as Python and R packages drf.

Background: Breast cancer is a multifactorial disease, genetic and environmental factors will affect its incidence probability. Breast cancer metastasis is one of the main cause of breast cancer related deaths reported by the American Cancer Society (ACS). Method: the iMedBot is a web application that we developed using the python Flask web framework and deployed on Amazon Web Services. It contains a frontend and a backend. The backend is supported by a python program we developed using the python Keras and scikit-learn packages, which can be used to learn deep feedforward neural network (DFNN) models. Result: the iMedBot can provide two main services: 1. it can predict 5-, 10-, or 15-year breast cancer metastasis based on a set of clinical information provided by a user. The prediction is done by using a set of DFNN models that were pretrained, and 2. It can train DFNN models for a user using user-provided dataset. The model trained will be evaluated using AUC and both the AUC value and the AUC ROC curve will be provided. Conclusion: The iMedBot web application provides a user-friendly interface for user-agent interaction in conducting personalized prediction and model training. It is an initial attempt to convert results of deep learning research into an online tool that may stir further research interests in this direction. Keywords: Deep learning, Breast Cancer, Web application, Model training.

Most existing works on continual learning (CL) focus on overcoming the catastrophic forgetting (CF) problem, with dynamic models and replay methods performing exceptionally well. However, since current works tend to assume exclusivity or dissimilarity among learning tasks, these methods require constantly accumulating task-specific knowledge in memory for each task. This results in the eventual prohibitive expansion of the knowledge repository if we consider learning from a long sequence of tasks. In this work, we introduce a paradigm where the continual learner gets a sequence of mixed similar and dissimilar tasks. We propose a new continual learning framework that uses a task similarity detection function that does not require additional learning, with which we analyze whether there is a specific task in the past that is similar to the current task. We can then reuse previous task knowledge to slow down parameter expansion, ensuring that the CL system expands the knowledge repository sublinearly to the number of learned tasks. Our experiments show that the proposed framework performs competitively on widely used computer vision benchmarks such as CIFAR10, CIFAR100, and EMNIST.

Graph Neural Networks (GNNs) have been widely used on graph data and have shown exceptional performance in the task of link prediction. Despite their effectiveness, GNNs often suffer from high latency due to non-trivial neighborhood data dependency in practical deployments. To address this issue, researchers have proposed methods based on knowledge distillation (KD) to transfer the knowledge from teacher GNNs to student MLPs, which are known to be efficient even with industrial scale data, and have shown promising results on node classification. Nonetheless, using KD to accelerate link prediction is still unexplored. In this work, we start with exploring two direct analogs of traditional KD for link prediction, i.e., predicted logit-based matching and node representation-based matching. Upon observing direct KD analogs do not perform well for link prediction, we propose a relational KD framework, Linkless Link Prediction (LLP). Unlike simple KD methods that match independent link logits or node representations, LLP distills relational knowledge that is centered around each (anchor) node to the student MLP. Specifically, we propose two matching strategies that complement each other: rank-based matching and distribution-based matching. Extensive experiments demonstrate that LLP boosts the link prediction performance of MLPs with significant margins, and even outperforms the teacher GNNs on 6 out of 9 benchmarks. LLP also achieves a 776.37x speedup in link prediction inference compared to GNNs on the large scale OGB-Citation2 dataset.

Soft errors in large VLSI circuits pose dramatic influence on computing- and memory-intensive neural network (NN) processing. Understanding the influence of soft errors on NNs is critical to protect against soft errors for reliable NN processing. Prior work mainly rely on fault simulation to analyze the influence of soft errors on NN processing. They are accurate but usually specific to limited configurations of errors and NN models due to the prohibitively slow simulation speed especially for large NN models and datasets. With the observation that the influence of soft errors propagates across a large number of neurons and accumulates as well, we propose to characterize the soft error induced data disturbance on each neuron with normal distribution model according to central limit theorem and develop a series of statistical models to analyze the behavior of NN models under soft errors in general. The statistical models reveal not only the correlation between soft errors and NN model accuracy, but also how NN parameters such as quantization and architecture affect the reliability of NNs. The proposed models are compared with fault simulation and verified comprehensively. In addition, we observe that the statistical models that characterize the soft error influence can also be utilized to predict fault simulation results in many cases and we explore the use of the proposed statistical models to accelerate fault simulations of NNs. According to our experiments, the accelerated fault simulation shows almost two orders of magnitude speedup with negligible simulation accuracy loss over the baseline fault simulations.

Recent advances in Transformer architecture have empowered its empirical success in various tasks across different domains. However, existing works mainly focus on improving the standard accuracy and computational cost, without considering the robustness of contaminated samples. Existing work has shown that the self-attention mechanism, which is the center of the Transformer architecture, can be viewed as a non-parametric estimator based on the well-known kernel density estimation (KDE). This motivates us to leverage the robust kernel density estimation (RKDE) in the self-attention mechanism, to alleviate the issue of the contamination of data by down-weighting the weight of bad samples in the estimation process. The modified self-attention mechanism can be incorporated into different Transformer variants. Empirical results on language modeling and image classification tasks demonstrate the effectiveness of this approach.

This paper develops a class of low-complexity device scheduling algorithms for over-the-air federated learning via the method of matching pursuit. The proposed scheme tracks closely the close-to-optimal performance achieved by difference-of-convex programming, and outperforms significantly the well-known benchmark algorithms based on convex relaxation. Compared to the state-of-the-art, the proposed scheme poses a drastically lower computational load on the system: For $K$ devices and $N$ antennas at the parameter server, the benchmark complexity scales with $\left(N^2+K\right)^3 + N^6$ while the complexity of the proposed scheme scales with $K^p N^q$ for some $0 < p,q \leq 2$. The efficiency of the proposed scheme is confirmed via numerical experiments on the CIFAR-10 dataset.

In offline model-based reinforcement learning (offline MBRL), we learn a dynamic model from historically collected data, and subsequently utilize the learned model and fixed datasets for policy learning, without further interacting with the environment. Offline MBRL algorithms can improve the efficiency and stability of policy learning over the model-free algorithms. However, in most of the existing offline MBRL algorithms, the learning objectives for the dynamic models and the policies are isolated from each other. Such an objective mismatch may lead to inferior performance of the learned agents. In this paper, we address this issue by developing an iterative offline MBRL framework, where we maximize a lower bound of the true expected return, by alternating between dynamic-model training and policy learning. With the proposed unified model-policy learning framework, we achieve competitive performance on a wide range of continuous-control offline reinforcement learning datasets. Source code is publicly released.

Grounding language to the visual observations of a navigating agent can be performed using off-the-shelf visual-language models pretrained on Internet-scale data (e.g., image captions). While this is useful for matching images to natural language descriptions of object goals, it remains disjoint from the process of mapping the environment, so that it lacks the spatial precision of classic geometric maps. To address this problem, we propose VLMaps, a spatial map representation that directly fuses pretrained visual-language features with a 3D reconstruction of the physical world. VLMaps can be autonomously built from video feed on robots using standard exploration approaches and enables natural language indexing of the map without additional labeled data. Specifically, when combined with large language models (LLMs), VLMaps can be used to (i) translate natural language commands into a sequence of open-vocabulary navigation goals (which, beyond prior work, can be spatial by construction, e.g., "in between the sofa and TV" or "three meters to the right of the chair") directly localized in the map, and (ii) can be shared among multiple robots with different embodiments to generate new obstacle maps on-the-fly (by using a list of obstacle categories). Extensive experiments carried out in simulated and real world environments show that VLMaps enable navigation according to more complex language instructions than existing methods. Videos are available at https:vlmaps.github.io.

The concept of trustworthy AI has gained widespread attention lately. One of the aspects relevant to trustworthy AI is robustness of ML models. In this study, we show how to exactly compute the recently introduced measure of real-world-robustness - a measure for robustness against naturally occurring distortions of input data - for tree-based classifiers under the assumption that the natural distortions are given as probability distributions. The idea is to extract the decision rules of a trained tree-based classifier, separate the feature space into non-overlapping regions and determine the probability that a data sample with distortion returns its predicted label. The original method works for all black box classifiers, but is only an approximation and only works if the input dimension is not too high, whereas our proposed method returns exact results.

Score-based kernelised Stein discrepancy (KSD) tests have emerged as a powerful tool for the goodness of fit tests, especially in high dimensions; however, the test performance may depend on the choice of kernels in an underlying reproducing kernel Hilbert space (RKHS). Here we assess the effect of RKHS choice for KSD tests of random networks models, developed for exponential random graph models (ERGMs) in Xu and Reinert (2021)and for synthetic graph generators in Xu and Reinert (2022). We investigate the power performance and the computational runtime of the test in different scenarios, including both dense and sparse graph regimes. Experimental results on kernel performance for model assessment tasks are shown and discussed on synthetic and real-world network applications.

Learning energy-based models (EBMs) is known to be difficult especially on discrete data where gradient-based learning strategies cannot be applied directly. Although ratio matching is a sound method to learn discrete EBMs, it suffers from expensive computation and excessive memory requirement, thereby resulting in difficulties for learning EBMs on high-dimensional data. Motivated from these limitations, in this study, we propose ratio matching with gradient-guided importance sampling (RMwGGIS). Particularly, we use the gradient of the energy function w.r.t. the discrete data space to approximately construct the provably optimal proposal distribution, which is subsequently used by importance sampling to efficiently estimate the original ratio matching objective. We perform experiments on density modeling over synthetic discrete data, graph generation, and training Ising models to evaluate our proposed method. The experimental results demonstrate that our method can significantly alleviate the limitations of ratio matching, perform more effectively in practice, and scale to high-dimensional problems. Our implementation is available at {https://github.com/divelab/RMwGGIS.

In recent years, Artificial Neural Networks (ANNs) have been introduced in Structural Health Monitoring (SHM) systems. An unsupervised method with a data-driven approach allows the ANN training on data acquired from an undamaged structural condition to detect structural damages. In standard approaches, after the training stage, a decision rule is manually defined to detect anomalous data. However, this process could be made automatic using machine learning methods, whom performances are maximised using hyperparameter optimization techniques. The paper proposes an unsupervised method with a data-driven approach to detect structural anomalies. The methodology consists of: (i) a Variational Autoencoder (VAE) to approximate undamaged data distribution and (ii) a One-Class Support Vector Machine (OC-SVM) to discriminate different health conditions using damage sensitive features extracted from VAE's signal reconstruction. The method is applied to a scale steel structure that was tested in nine damage's scenarios by IASC-ASCE Structural Health Monitoring Task Group.

Multilingual transformer-based models demonstrate remarkable zero and few-shot transfer across languages by learning and reusing language-agnostic features. However, as a fixed-size model acquires more languages, its performance across all languages degrades, a phenomenon termed interference. Often attributed to limited model capacity, interference is commonly addressed by adding additional parameters despite evidence that transformer-based models are overparameterized. In this work, we show that it is possible to reduce interference by instead identifying and pruning language-specific parameters. First, we use Shapley Values, a credit allocation metric from coalitional game theory, to identify attention heads that introduce interference. Then, we show that removing identified attention heads from a fixed model improves performance for a target language on both sentence classification and structural prediction, seeing gains as large as 24.7\%. Finally, we provide insights on language-agnostic and language-specific attention heads using attention visualization.

Most existing methods focus on sentiment analysis of textual data. However, recently there has been a massive use of images and videos on social platforms, motivating sentiment analysis from other modalities. Current studies show that exploring other modalities (e.g., images) increases sentiment analysis performance. State-of-the-art multimodal models, such as CLIP and VisualBERT, are pre-trained on datasets with the text paired with images. Although the results obtained by these models are promising, pre-training and sentiment analysis fine-tuning tasks of these models are computationally expensive. This paper introduces a transfer learning approach using joint fine-tuning for sentiment analysis. Our proposal achieved competitive results using a more straightforward alternative fine-tuning strategy that leverages different pre-trained unimodal models and efficiently combines them in a multimodal space. Moreover, our proposal allows flexibility when incorporating any pre-trained model for texts and images during the joint fine-tuning stage, being especially interesting for sentiment classification in low-resource scenarios.

In this work we consider a variant of adversarial online learning where in each round one picks $B$ out of $N$ arms and incurs cost equal to the $\textit{minimum}$ of the costs of each arm chosen. We propose an algorithm called Follow the Perturbed Multiple Leaders (FPML) for this problem, which we show (by adapting the techniques of Kalai and Vempala [2005]) achieves expected regret $\mathcal{O}(T^{\frac{1}{B+1}}\ln(N)^{\frac{B}{B+1}})$ over time horizon $T$ relative to the $\textit{single}$ best arm in hindsight. This introduces a trade-off between the budget $B$ and the single-best-arm regret, and we proceed to investigate several applications of this trade-off. First, we observe that algorithms which use standard regret minimizers as subroutines can sometimes be adapted by replacing these subroutines with FPML, and we use this to generalize existing algorithms for Online Submodular Function Maximization [Streeter and Golovin, 2008] in both the full feedback and semi-bandit feedback settings. Next, we empirically evaluate our new algorithms on an online black-box hyperparameter optimization problem. Finally, we show how FPML can lead to new algorithms for Linear Programming which require stronger oracles at the benefit of fewer oracle calls.

In the experimental sciences, statistical power analyses are often used before data collection to determine the required sample size. However, traditional power analyses can be costly when data are difficult or expensive to collect. We propose synthetic power analyses; a framework for estimating statistical power at various sample sizes, and empirically explore the performance of synthetic power analysis for sample size selection in cognitive neuroscience experiments. To this end, brain imaging data is synthesized using an implicit generative model conditioned on observed cognitive processes. Further, we propose a simple procedure to modify the statistical tests which result in conservative statistics. Our empirical results suggest that synthetic power analysis could be a low-cost alternative to pilot data collection when the proposed experiments share cognitive processes with previously conducted experiments.

The empirical studies of Graph Neural Networks (GNNs) broadly take the original node feature and adjacency relationship as singleview input, ignoring the rich information of multiple graph views. To circumvent this issue, the multiview graph analysis framework has been developed to fuse graph information across views. How to model and integrate shared (i.e. consistency) and view-specific (i.e. complementarity) information is a key issue in multiview graph analysis. In this paper, we propose a novel Multiview Variational Graph Information Bottleneck (MVGIB) principle to maximize the agreement for common representations and the disagreement for view-specific representations. Under this principle, we formulate the common and view-specific information bottleneck objectives across multiviews by using constraints from mutual information. However, these objectives are hard to directly optimize since the mutual information is computationally intractable. To tackle this challenge, we derive variational lower and upper bounds of mutual information terms, and then instead optimize variational bounds to find the approximate solutions for the information objectives. Extensive experiments on graph benchmark datasets demonstrate the superior effectiveness of the proposed method.

We study the Pareto frontier of two archetypal objectives in multi-armed bandits, namely, regret minimization (RM) and best arm identification (BAI) with a fixed horizon. It is folklore that the balance between exploitation and exploration is crucial for both RM and BAI, but exploration is more critical in achieving the optimal performance for the latter objective. To this end, we design and analyze the BoBW-lil'UCB$(\gamma)$ algorithm. Complementarily, by establishing lower bounds on the regret achievable by any algorithm with a given BAI failure probability, we show that (i) no algorithm can simultaneously perform optimally for both the RM and BAI objectives, and (ii) BoBW-lil'UCB$(\gamma)$ achieves order-wise optimal performance for RM or BAI under different values of $\gamma$. Our work elucidates the trade-off more precisely by showing how the constants in previous works depend on certain hardness parameters. Finally, we show that BoBW-lil'UCB outperforms a close competitor UCB$_\alpha$ (Degenne et al., 2019) in terms of the time complexity and the regret on diverse datasets such as MovieLens and Published Kinase Inhibitor Set.

Action recognition is an important component to improve autonomy of physical rehabilitation devices, such as wearable robotic exoskeletons. Existing human action recognition algorithms focus on adult applications rather than pediatric ones. In this paper, we introduce BabyNet, a light-weight (in terms of trainable parameters) network structure to recognize infant reaching action from off-body stationary cameras. We develop an annotated dataset that includes diverse reaches performed while in a sitting posture by different infants in unconstrained environments (e.g., in home settings, etc.). Our approach uses the spatial and temporal connection of annotated bounding boxes to interpret onset and offset of reaching, and to detect a complete reaching action. We evaluate the efficiency of our proposed approach and compare its performance against other learning-based network structures in terms of capability of capturing temporal inter-dependencies and accuracy of detection of reaching onset and offset. Results indicate our BabyNet can attain solid performance in terms of (average) testing accuracy that exceeds that of other larger networks, and can hence serve as a light-weight data-driven framework for video-based infant reaching action recognition.

In the age of big data, the demand for hidden information mining in technological intellectual property is increasing in discrete countries. Definitely, a considerable number of graph learning algorithms for technological intellectual property have been proposed. The goal is to model the technological intellectual property entities and their relationships through the graph structure and use the neural network algorithm to extract the hidden structure information in the graph. However, most of the existing graph learning algorithms merely focus on the information mining of binary relations in technological intellectual property, ignoring the higherorder information hidden in non-binary relations. Therefore, a hypergraph neural network model based on dual channel convolution is proposed. For the hypergraph constructed from technological intellectual property data, the hypergraph channel and the line expanded graph channel of the hypergraph are used to learn the hypergraph, and the attention mechanism is introduced to adaptively fuse the output representations of the two channels. The proposed model outperforms the existing approaches on a variety of datasets.

The output structure of database-like tables, consisting of values structured in horizontal rows and vertical columns identifiable by name, can cover a wide range of NLP tasks. Following this constatation, we propose a framework for text-to-table neural models applicable to problems such as extraction of line items, joint entity and relation extraction, or knowledge base population. The permutation-based decoder of our proposal is a generalized sequential method that comprehends information from all cells in the table. The training maximizes the expected log-likelihood for a table's content across all random permutations of the factorization order. During the content inference, we exploit the model's ability to generate cells in any order by searching over possible orderings to maximize the model's confidence and avoid substantial error accumulation, which other sequential models are prone to. Experiments demonstrate a high practical value of the framework, which establishes state-of-the-art results on several challenging datasets, outperforming previous solutions by up to 15%.

Several algorithms involving the Variational R\'enyi (VR) bound have been proposed to minimize an alpha-divergence between a target posterior distribution and a variational distribution. Despite promising empirical results, those algorithms resort to biased stochastic gradient descent procedures and thus lack theoretical guarantees. In this paper, we formalize and study the VR-IWAE bound, a generalization of the Importance Weighted Auto-Encoder (IWAE) bound. We show that the VR-IWAE bound enjoys several desirable properties and notably leads to the same stochastic gradient descent procedure as the VR bound in the reparameterized case, but this time by relying on unbiased gradient estimators. We then provide two complementary theoretical analyses of the VR-IWAE bound and thus of the standard IWAE bound. Those analyses shed light on the benefits or lack thereof of these bounds. Lastly, we illustrate our theoretical claims over toy and real-data examples.

Synthetic tabular data emerges as an alternative for sharing knowledge while adhering to restrictive data access regulations, e.g., European General Data Protection Regulation (GDPR). Mainstream state-of-the-art tabular data synthesizers draw methodologies from Generative Adversarial Networks (GANs), which are composed of a generator and a discriminator. While convolution neural networks are shown to be a better architecture than fully connected networks for tabular data synthesizing, two key properties of tabular data are overlooked: (i) the global correlation across columns, and (ii) invariant synthesizing to column permutations of input data. To address the above problems, we propose a Fourier conditional tabular generative adversarial network (FCT-GAN). We introduce feature tokenization and Fourier networks to construct a transformer-style generator and discriminator, and capture both local and global dependencies across columns. The tokenizer captures local spatial features and transforms original data into tokens. Fourier networks transform tokens to frequency domains and element-wisely multiply a learnable filter. Extensive evaluation on benchmarks and real-world data shows that FCT-GAN can synthesize tabular data with high machine learning utility (up to 27.8% better than state-of-the-art baselines) and high statistical similarity to the original data (up to 26.5% better), while maintaining the global correlation across columns, especially on high dimensional dataset.

Transformer models can use two fundamentally different kinds of information: information stored in weights during training, and information provided ``in-context'' at inference time. In this work, we show that transformers exhibit different inductive biases in how they represent and generalize from the information in these two sources. In particular, we characterize whether they generalize via parsimonious rules (rule-based generalization) or via direct comparison with observed examples (exemplar-based generalization). This is of important practical consequence, as it informs whether to encode information in weights or in context, depending on how we want models to use that information. In transformers trained on controlled stimuli, we find that generalization from weights is more rule-based whereas generalization from context is largely exemplar-based. In contrast, we find that in transformers pre-trained on natural language, in-context learning is significantly rule-based, with larger models showing more rule-basedness. We hypothesise that rule-based generalization from in-context information might be an emergent consequence of large-scale training on language, which has sparse rule-like structure. Using controlled stimuli, we verify that transformers pretrained on data containing sparse rule-like structure exhibit more rule-based generalization.

In recent years, a number of reinforcement learning (RL) methods have been proposed to explore complex environments which differ across episodes. In this work, we show that the effectiveness of these methods critically relies on a count-based episodic term in their exploration bonus. As a result, despite their success in relatively simple, noise-free settings, these methods fall short in more realistic scenarios where the state space is vast and prone to noise. To address this limitation, we introduce Exploration via Elliptical Episodic Bonuses (E3B), a new method which extends count-based episodic bonuses to continuous state spaces and encourages an agent to explore states that are diverse under a learned embedding within each episode. The embedding is learned using an inverse dynamics model in order to capture controllable aspects of the environment. Our method sets a new state-of-the-art across 16 challenging tasks from the MiniHack suite, without requiring task-specific inductive biases. E3B also matches existing methods on sparse reward, pixel-based VizDoom environments, and outperforms existing methods in reward-free exploration on Habitat, demonstrating that it can scale to high-dimensional pixel-based observations and realistic environments.

Design time uncertainty poses an important challenge when developing a self-adaptive system. As an example, defining how the system should adapt when facing a new environment state, requires understanding the precise effect of an adaptation, which may not be known at design time. Online reinforcement learning, i.e., employing reinforcement learning (RL) at runtime, is an emerging approach to realizing self-adaptive systems in the presence of design time uncertainty. By using Online RL, the self-adaptive system can learn from actual operational data and leverage feedback only available at runtime. Recently, Deep RL is gaining interest. Deep RL represents learned knowledge as a neural network whereby it can generalize over unseen inputs, as well as handle continuous environment states and adaptation actions. A fundamental problem of Deep RL is that learned knowledge is not explicitly represented. For a human, it is practically impossible to relate the parametrization of the neural network to concrete RL decisions and thus Deep RL essentially appears as a black box. Yet, understanding the decisions made by Deep RL is key to (1) increasing trust, and (2) facilitating debugging. Such debugging is especially relevant for self-adaptive systems, because the reward function, which quantifies the feedback to the RL algorithm, must be defined by developers. The reward function must be explicitly defined by developers, thus introducing a potential for human error. To explain Deep RL for self-adaptive systems, we enhance and combine two existing explainable RL techniques from the machine learning literature. The combined technique, XRL-DINE, overcomes the respective limitations of the individual techniques. We present a proof-of-concept implementation of XRL-DINE, as well as qualitative and quantitative results of applying XRL-DINE to a self-adaptive system exemplar.

Identifying the effects of new interventions from data is a significant challenge found across a wide range of the empirical sciences. A well-known strategy for identifying such effects is Pearl's front-door (FD) criterion (Pearl, 1995). The definition of the FD criterion is declarative, only allowing one to decide whether a specific set satisfies the criterion. In this paper, we present algorithms for finding and enumerating possible sets satisfying the FD criterion in a given causal diagram. These results are useful in facilitating the practical applications of the FD criterion for causal effects estimation and helping scientists to select estimands with desired properties, e.g., based on cost, feasibility of measurement, or statistical power.

We combine amortized neural posterior estimation with importance sampling for fast and accurate gravitational-wave inference. We first generate a rapid proposal for the Bayesian posterior using neural networks, and then attach importance weights based on the underlying likelihood and prior. This provides (1) a corrected posterior free from network inaccuracies, (2) a performance diagnostic (the sample efficiency) for assessing the proposal and identifying failure cases, and (3) an unbiased estimate of the Bayesian evidence. By establishing this independent verification and correction mechanism we address some of the most frequent criticisms against deep learning for scientific inference. We carry out a large study analyzing 42 binary black hole mergers observed by LIGO and Virgo with the SEOBNRv4PHM and IMRPhenomXPHM waveform models. This shows a median sample efficiency of $\approx 10\%$ (two orders-of-magnitude better than standard samplers) as well as a ten-fold reduction in the statistical uncertainty in the log evidence. Given these advantages, we expect a significant impact on gravitational-wave inference, and for this approach to serve as a paradigm for harnessing deep learning methods in scientific applications.

Imbalanced image datasets are commonly available in the domain of biomedical image analysis. Biomedical images contain diversified features that are significant in predicting targeted diseases. Generative Adversarial Networks (GANs) are utilized to address the data limitation problem via the generation of synthetic images. Training challenges such as mode collapse, non-convergence, and instability degrade a GAN's performance in synthesizing diversified and high-quality images. In this work, SAMGAN, an attention-guided multi-scale gradient GAN architecture is proposed to model the relationship between long-range dependencies of biomedical image features and improves the training performance using a flow of multi-scale gradients at multiple resolutions in the layers of generator and discriminator models. The intent is to reduce the impact of mode collapse and stabilize the training of GAN using an attention mechanism with multi-scale gradient learning for diversified X-ray image synthesis. Multi-scale Structural Similarity Index Measure (MS-SSIM) and Frechet Inception Distance (FID) are used to identify the occurrence of mode collapse and evaluate the diversity of synthetic images generated. The proposed architecture is compared with the multi-scale gradient GAN (MSG-GAN) to assess the diversity of generated synthetic images. Results indicate that the SAMGAN outperforms MSG-GAN in synthesizing diversified images as evidenced by the MS-SSIM and FID scores.

This paper aims to reduce randomness in football by analysing the role of lineups in final scores using machine learning prediction models we have developed. Football clubs invest millions of dollars on lineups and knowing how individual statistics translate to better outcomes can optimise investments. Moreover, sports betting is growing exponentially and being able to predict the future is profitable and desirable. We use machine learning models and historical player data from English Premier League (2020-2022) to predict scores and to understand how individual performance can improve the outcome of a match. We compared different prediction techniques to maximise the possibility of finding useful models. We created heuristic and machine learning models predicting football scores to compare different techniques. We used different sets of features and shown goalkeepers stats are more important than attackers stats to predict goals scored. We applied a broad evaluation process to assess the efficacy of the models in real world applications. We managed to predict correctly all relegated teams after forecast 100 consecutive matches. We show that Support Vector Regression outperformed other techniques predicting final scores and that lineups do improve predictions. Finally, our model was profitable (42% return) when emulating a betting system using real world odds data.

Generative adversarial networks (GANs) offer an effective solution to the image-to-image translation problem, thereby allowing for new possibilities in medical imaging. They can translate images from one imaging modality to another at a low cost. For unpaired datasets, they rely mostly on cycle loss. Despite its effectiveness in learning the underlying data distribution, it can lead to a discrepancy between input and output data. The purpose of this work is to investigate the hypothesis that we can predict image quality based on its latent representation in the GANs bottleneck. We achieve this by corrupting the latent representation with noise and generating multiple outputs. The degree of differences between them is interpreted as the strength of the representation: the more robust the latent representation, the fewer changes in the output image the corruption causes. Our results demonstrate that our proposed method has the ability to i) predict uncertain parts of synthesized images, and ii) identify samples that may not be reliable for downstream tasks, e.g., liver segmentation task.

Anticipating future actions in a video is useful for many autonomous and assistive technologies. Prior action anticipation work mostly treats this as a vision modality problem, where the models learn the task information primarily from the video features in the target action anticipation datasets. In this work, we propose a method to make use of the text-modality that is available during the training, to bring in complementary information that is not present in the target action anticipation datasets. In particular, we leverage pre-trained language models to build a text-modality teacher that is able to predict future actions based on text labels of the past actions extracted from the input video. To further adapt the teacher to the target domain (cooking), we also pretrain the teacher on textual instructions from a recipes dataset (Recipe1M). Then, we distill the knowledge gained by the text-modality teacher into a vision-modality student to further improve it's performance. We empirically evaluate this simple cross-modal distillation strategy on two video datasets EGTEA-GAZE+ and EPIC-KITCHEN 55. Distilling this text-modality knowledge into a strong vision model (Anticipative Vision Transformer) yields consistent gains across both datasets, 3.5% relative improvement on top1 class mean recall for EGTEA-GAZE+, 7.2% on top5 many-shot class mean recall for EPIC-KITCHEN 55 and achieves new state-of-the-results.

In this paper, we explore the capabilities of a number of deep neural network models in generating whole-brain 3T-like MR images from clinical 1.5T MRIs. The models include a fully convolutional network (FCN) method and three state-of-the-art super-resolution solutions, ESPCN [26], SRGAN [17] and PRSR [7]. The FCN solution, U-Convert-Net, carries out mapping of 1.5T-to-3T slices through a U-Net-like architecture, with 3D neighborhood information integrated through a multi-view ensemble. The pros and cons of the models, as well the associated evaluation metrics, are measured with experiments and discussed in depth. To the best of our knowledge, this study is the first work to evaluate multiple deep learning solutions for whole-brain MRI conversion, as well as the first attempt to utilize FCN/U-Net-like structure for this purpose.

Machine learning models are vulnerable to biases that result in unfair treatment of individuals from different populations. Recent work that aims to test a model's fairness at the individual level either relies on domain knowledge to choose metrics, or on input transformations that risk generating out-of-domain samples. We describe a new approach for testing individual fairness that does not have either requirement. We propose a novel criterion for evaluating individual fairness and develop a practical testing method based on this criterion which we call fAux (pronounced fox). This is based on comparing the derivatives of the predictions of the model to be tested with those of an auxiliary model, which predicts the protected variable from the observed data. We show that the proposed method effectively identifies discrimination on both synthetic and real-world datasets, and has quantitative and qualitative advantages over contemporary methods.

In this paper, we propose a novel unsupervised text-to-speech (UTTS) framework which does not require text-audio pairs for the TTS acoustic modeling (AM). UTTS is a multi-speaker speech synthesizer that supports zero-shot voice cloning, it is developed from a perspective of disentangled speech representation learning. The framework offers a flexible choice of a speaker's duration model, timbre feature (identity) and content for TTS inference. We leverage recent advancements in self-supervised speech representation learning as well as speech synthesis front-end techniques for system development. Specifically, we employ our recently formulated Conditional Disentangled Sequential Variational Auto-encoder (C-DSVAE) as the backbone UTTS AM, which offers well-structured content representations given unsupervised alignment (UA) as condition during training. For UTTS inference, we utilize a lexicon to map input text to the phoneme sequence, which is expanded to the frame-level forced alignment (FA) with a speaker-dependent duration model. Then, we develop an alignment mapping module that converts FA to UA. Finally, the C-DSVAE, serving as the self-supervised TTS AM, takes the predicted UA and a target speaker embedding to generate the mel spectrogram, which is ultimately converted to waveform with a neural vocoder. We show how our method enables speech synthesis without using a paired TTS corpus. Experiments demonstrate that UTTS can synthesize speech of high naturalness and intelligibility measured by human and objective evaluations. Audio samples are available at our demo page https://neurtts.github.io/utts_demo.

Humans have the remarkable ability to recognize and acquire novel visual concepts in a zero-shot manner. Given a high-level, symbolic description of a novel concept in terms of previously learned visual concepts and their relations, humans can recognize novel concepts without seeing any examples. Moreover, they can acquire new concepts by parsing and communicating symbolic structures using learned visual concepts and relations. Endowing these capabilities in machines is pivotal in improving their generalization capability at inference time. In this work, we introduce Zero-shot Concept Recognition and Acquisition (ZeroC), a neuro-symbolic architecture that can recognize and acquire novel concepts in a zero-shot way. ZeroC represents concepts as graphs of constituent concept models (as nodes) and their relations (as edges). To allow inference time composition, we employ energy-based models (EBMs) to model concepts and relations. We design ZeroC architecture so that it allows a one-to-one mapping between a symbolic graph structure of a concept and its corresponding EBM, which for the first time, allows acquiring new concepts, communicating its graph structure, and applying it to classification and detection tasks (even across domains) at inference time. We introduce algorithms for learning and inference with ZeroC. We evaluate ZeroC on a challenging grid-world dataset which is designed to probe zero-shot concept recognition and acquisition, and demonstrate its capability.

Embodied dialogue instruction following requires an agent to complete a complex sequence of tasks from a natural language exchange. The recent introduction of benchmarks (Padmakumar et al., 2022) raises the question of how best to train and evaluate models for this multi-turn, multi-agent, long-horizon task. This paper contributes to that conversation, by arguing that imitation learning (IL) and related low-level metrics are actually misleading and do not align with the goals of embodied dialogue research and may hinder progress. We provide empirical comparisons of metrics, analysis of three models, and make suggestions for how the field might best progress. First, we observe that models trained with IL take spurious actions during evaluation. Second, we find that existing models fail to ground query utterances, which are essential for task completion. Third, we argue evaluation should focus on higher-level semantic goals.

Current deep learning models for dynamics forecasting struggle with generalization. They can only forecast in a specific domain and fail when applied to systems with different parameters, external forces, or boundary conditions. We propose a model-based meta-learning method called DyAd which can generalize across heterogeneous domains by partitioning them into different tasks. DyAd has two parts: an encoder which infers the time-invariant hidden features of the task with weak supervision, and a forecaster which learns the shared dynamics of the entire domain. The encoder adapts and controls the forecaster during inference using adaptive instance normalization and adaptive padding. Theoretically, we prove that the generalization error of such procedure is related to the task relatedness in the source domain, as well as the domain differences between source and target. Experimentally, we demonstrate that our model outperforms state-of-the-art approaches on both turbulent flow and real-world ocean data forecasting tasks.

Sparse mixture of experts provides larger model capacity while requiring a constant computational overhead. It employs the routing mechanism to distribute input tokens to the best-matched experts according to their hidden representations. However, learning such a routing mechanism encourages token clustering around expert centroids, implying a trend toward representation collapse. In this work, we propose to estimate the routing scores between tokens and experts on a low-dimensional hypersphere. We conduct extensive experiments on cross-lingual language model pre-training and fine-tuning on downstream tasks. Experimental results across seven multilingual benchmarks show that our method achieves consistent gains. We also present a comprehensive analysis on the representation and routing behaviors of our models. Our method alleviates the representation collapse issue and achieves more consistent routing than the baseline mixture-of-experts methods.

Deep neural network solutions have emerged as a new and powerful paradigm for speech enhancement (SE). The capabilities to capture long context and extract multi-scale patterns are crucial to design effective SE networks. Such capabilities, however, are often in conflict with the goal of maintaining compact networks to ensure good system generalization. In this paper, we explore dilation operations and apply them to fully convolutional networks (FCNs) to address this issue. Dilations equip the networks with greatly expanded receptive fields, without increasing the number of parameters. Different strategies to fuse multi-scale dilations, as well as to install the dilation modules are explored in this work. Using Noisy VCTK and AzBio sentences datasets, we demonstrate that the proposed dilation models significantly improve over the baseline FCN and outperform the state-of-the-art SE solutions.

In response to subtle adversarial examples flipping classifications of neural network models, recent research has promoted certified robustness as a solution. There, invariance of predictions to all norm-bounded attacks is achieved through randomised smoothing of network inputs. Today's state-of-the-art certifications make optimal use of the class output scores at the input instance under test: no better radius of certification (under the $L_2$ norm) is possible given only these score. However, it is an open question as to whether such lower bounds can be improved using local information around the instance under test. In this work, we demonstrate how today's "optimal" certificates can be improved by exploiting both the transitivity of certifications, and the geometry of the input space, giving rise to what we term Geometrically-Informed Certified Robustness. By considering the smallest distance to points on the boundary of a set of certifications this approach improves certifications for more than $80\%$ of Tiny-Imagenet instances, yielding an on average $5 \%$ increase in the associated certification. When incorporating training time processes that enhance the certified radius, our technique shows even more promising results, with a uniform $4$ percentage point increase in the achieved certified radius.

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance or induce discrepancy between the encoding and the decoding steps that necessitates {\em post hoc} validity correction. We circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of node ODEs coupled as a graph PDE, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message-passing temporal networks, and result in superlative performance on the tasks of density estimation and molecular generation. In particular, our generated samples achieve state-of-the-art on both the standard QM9 and ZINC250K benchmarks.

Generalization bounds which assess the difference between the true risk and the empirical risk, have been studied extensively. However, to obtain bounds, current techniques use strict assumptions such as a uniformly bounded or a Lipschitz loss function. To avoid these assumptions, in this paper, we follow an alternative approach: we relax uniform bounds assumptions by using on-average bounded loss and on-average bounded gradient norm assumptions. Following this relaxation, we propose a new generalization bound that exploits the contractivity of the log-Sobolev inequalities. These inequalities add an additional loss-gradient norm term to the generalization bound, which is intuitively a surrogate of the model complexity. We apply the proposed bound on Bayesian deep nets and empirically analyze the effect of this new loss-gradient norm term on different neural architectures.

Training with backpropagation (BP) in standard deep learning consists of two main steps: a forward pass that maps a data point to its prediction, and a backward pass that propagates the error of this prediction back through the network. This process is highly effective when the goal is to minimize a specific objective function. However, it does not allow training on networks with cyclic or backward connections. This is an obstacle to reaching brain-like capabilities, as the highly complex heterarchical structure of the neural connections in the neocortex are potentially fundamental for its effectiveness. In this paper, we show how predictive coding (PC), a theory of information processing in the cortex, can be used to perform inference and learning on arbitrary graph topologies. We experimentally show how this formulation, called PC graphs, can be used to flexibly perform different tasks with the same network by simply stimulating specific neurons, and investigate how the topology of the graph influences the final performance. We conclude by comparing against simple baselines trained~with~BP.

This paper proposes, implements, and evaluates a reinforcement learning (RL)-based computational framework for automatic mesh generation. Mesh generation plays a fundamental role in numerical simulations in the area of computer aided design and engineering (CAD/E). It is identified as one of the critical issues in the NASA CFD Vision 2030 Study. Existing mesh generation methods suffer from high computational complexity, low mesh quality in complex geometries, and speed limitations. These methods and tools, including commercial software packages, are typically semiautomatic and they need inputs or help from human experts. By formulating the mesh generation as a Markov decision process (MDP) problem, we are able to use a state-of-the-art reinforcement learning (RL) algorithm called "soft actor-critic" to automatically learn from trials the policy of actions for mesh generation. The implementation of this RL algorithm for mesh generation allows us to build a fully automatic mesh generation system without human intervention and any extra clean-up operations, which fills the gap in the existing mesh generation tools. In the experiments to compare with two representative commercial software packages, our system demonstrates promising performance with respect to scalability, generalizability, and effectiveness.

In silico prediction of the ligand binding pose to a given protein target is a crucial but challenging task in drug discovery. This work focuses on blind flexible selfdocking, where we aim to predict the positions, orientations and conformations of docked molecules. Traditional physics-based methods usually suffer from inaccurate scoring functions and high inference cost. Recently, data-driven methods based on deep learning techniques are attracting growing interest thanks to their efficiency during inference and promising performance. These methods usually either adopt a two-stage approach by first predicting the distances between proteins and ligands and then generating the final coordinates based on the predicted distances, or directly predicting the global roto-translation of ligands. In this paper, we take a different route. Inspired by the resounding success of AlphaFold2 for protein structure prediction, we propose E3Bind, an end-to-end equivariant network that iteratively updates the ligand pose. E3Bind models the protein-ligand interaction through careful consideration of the geometric constraints in docking and the local context of the binding site. Experiments on standard benchmark datasets demonstrate the superior performance of our end-to-end trainable model compared to traditional and recently-proposed deep learning methods.

In this study, we aim to explore efficient tuning methods for speech self-supervised learning. Recent studies show that self-supervised learning (SSL) can learn powerful representations for different speech tasks. However, fine-tuning pre-trained models for each downstream task is parameter-inefficient since SSL models are notoriously large with millions of parameters. Adapters are lightweight modules commonly used in NLP to solve this problem. In downstream tasks, the parameters of SSL models are frozen, and only the adapters are trained. Given the lack of studies generally exploring the effectiveness of adapters for self-supervised speech tasks, we intend to fill this gap by adding various adapter modules in pre-trained speech SSL models. We show that the performance parity can be achieved with over 90% parameter reduction, and discussed the pros and cons of efficient tuning techniques. This is the first comprehensive investigation of various adapter types across speech tasks.

Differentially Private (DP) learning has seen limited success for building large deep learning models of text, and straightforward attempts at applying Differentially Private Stochastic Gradient Descent (DP-SGD) to NLP tasks have resulted in large performance drops and high computational overhead. We show that this performance drop can be mitigated with (1) the use of large pretrained language models; (2) non-standard hyperparameters that suit DP optimization; and (3) fine-tuning objectives which are aligned with the pretraining procedure. With the above, we obtain NLP models that outperform state-of-the-art DP-trained models under the same privacy budget and strong non-private baselines -- by directly fine-tuning pretrained models with DP optimization on moderately-sized corpora. To address the computational challenge of running DP-SGD with large Transformers, we propose a memory saving technique that allows clipping in DP-SGD to run without instantiating per-example gradients for any linear layer in the model. The technique enables privately training Transformers with almost the same memory cost as non-private training at a modest run-time overhead. Contrary to conventional wisdom that DP optimization fails at learning high-dimensional models (due to noise that scales with dimension) empirical results reveal that private learning with pretrained language models doesn't tend to suffer from dimension-dependent performance degradation. Code to reproduce results can be found at https://github.com/lxuechen/private-transformers.

Human electroencephalography (EEG) is a brain monitoring modality that senses cortical neuroelectrophysiological activity in high-temporal resolution. One of the greatest challenges posed in applications of EEG is the unstable signal quality susceptible to inevitable artifacts during recordings. To date, most existing techniques for EEG artifact removal and reconstruction are applicable to offline analysis solely, or require individualized training data to facilitate online reconstruction. We have proposed CLEEGN, a novel convolutional neural network for plug-and-play automatic EEG reconstruction. CLEEGN is based on a subject-independent pre-trained model using existing data and can operate on a new user without any further calibration. The performance of CLEEGN was validated using multiple evaluations including waveform observation, reconstruction error assessment, and decoding accuracy on well-studied labeled datasets. The results of simulated online validation suggest that, even without any calibration, CLEEGN can largely preserve inherent brain activity and outperforms leading online/offline artifact removal methods in the decoding accuracy of reconstructed EEG data. In addition, visualization of model parameters and latent features exhibit the model behavior and reveal explainable insights related to existing knowledge of neuroscience. We foresee pervasive applications of CLEEGN in prospective works of online plug-and-play EEG decoding and analysis.

Fingerprinting-based positioning significantly improves the indoor localization performance in non-line-of-sight-dominated areas. However, its deployment and maintenance is cost-intensive as it needs ground-truth reference systems for both the initial training and the adaption to environmental changes. In contrast, channel charting (CC) works without explicit reference information and only requires the spatial correlations of channel state information (CSI). While CC has shown promising results in modelling the geometry of the radio environment, a deeper insight into CC for localization using multi-anchor large-bandwidth measurements is still pending. We contribute a novel distance metric for time-synchronized single-input/single-output CSIs that approaches a linear correlation to the Euclidean distance. This allows to learn the environment's global geometry without annotations. To efficiently optimize the global channel chart we approximate the metric with a Siamese neural network. This enables full CC-assisted fingerprinting and positioning only using a linear transformation from the chart to the real-world coordinates. We compare our approach to the state-of-the-art of CC on two different real-world data sets recorded with a 5G and UWB radio setup. Our approach outperforms others with localization accuracies of 0.69m for the UWB and 1.4m for the 5G setup. We show that CC-assisted fingerprinting enables highly accurate localization and reduces (or eliminates) the need for annotated training data.

Cross-domain few-shot learning (CD-FSL) has drawn increasing attention for handling large differences between the source and target domains--an important concern in real-world scenarios. To overcome these large differences, recent works have considered exploiting small-scale unlabeled data from the target domain during the pre-training stage. This data enables self-supervised pre-training on the target domain, in addition to supervised pre-training on the source domain. In this paper, we empirically investigate which pre-training is preferred based on domain similarity and few-shot difficulty of the target domain. We discover that the performance gain of self-supervised pre-training over supervised pre-training becomes large when the target domain is dissimilar to the source domain, or the target domain itself has low few-shot difficulty. We further design two pre-training schemes, mixed-supervised and two-stage learning, that improve performance. In this light, we present six findings for CD-FSL, which are supported by extensive experiments and analyses on three source and eight target benchmark datasets with varying levels of domain similarity and few-shot difficulty. Our code is available at https://github.com/sungnyun/understanding-cdfsl.

Federated Learning (FL) is a popular approach for distributed deep learning that prevents the pooling of large amounts of data in a central server. FL relies on clients to update a global model using their local datasets. Classical FL algorithms use a central federator that, for each training round, waits for all clients to send their model updates before aggregating them. In practical deployments, clients might have different computing powers and network capabilities, which might lead slow clients to become performance bottlenecks. Previous works have suggested to use a deadline for each learning round so that the federator ignores the late updates of slow clients, or so that clients send partially trained models before the deadline. To speed up the training process, we instead propose Aergia, a novel approach where slow clients (i) freeze the part of their model that is the most computationally intensive to train; (ii) train the unfrozen part of their model; and (iii) offload the training of the frozen part of their model to a faster client that trains it using its own dataset. The offloading decisions are orchestrated by the federator based on the training speed that clients report and on the similarities between their datasets, which are privately evaluated thanks to a trusted execution environment. We show through extensive experiments that Aergia maintains high accuracy and significantly reduces the training time under heterogeneous settings by up to 27% and 53% compared to FedAvg and TiFL, respectively.

A good state representation is crucial to solving complicated reinforcement learning (RL) challenges. Many recent works focus on designing auxiliary losses for learning informative representations. Unfortunately, these handcrafted objectives rely heavily on expert knowledge and may be sub-optimal. In this paper, we propose a principled and universal method for learning better representations with auxiliary loss functions, named Automated Auxiliary Loss Search (A2LS), which automatically searches for top-performing auxiliary loss functions for RL. Specifically, based on the collected trajectory data, we define a general auxiliary loss space of size $7.5 \times 10^{20}$ and explore the space with an efficient evolutionary search strategy. Empirical results show that the discovered auxiliary loss (namely, A2-winner) significantly improves the performance on both high-dimensional (image) and low-dimensional (vector) unseen tasks with much higher efficiency, showing promising generalization ability to different settings and even different benchmark domains. We conduct a statistical analysis to reveal the relations between patterns of auxiliary losses and RL performance.

To work with categorical features, machine learning systems employ embedding tables. These tables can become exceedingly large in modern recommendation systems, necessitating the development of new methods for fitting them in memory, even during training. Some of the most successful methods for table compression are Product- and Residual Vector Quantization (Gray & Neuhoff, 1998). These methods replace table rows with references to k-means clustered "codewords." Unfortunately, this means they must first know the table before compressing it, so they can only save memory during inference, not training. Recent work has used hashing-based approaches to minimize memory usage during training, but the compression obtained is inferior to that obtained by "post-training" quantization. We show that the best of both worlds may be obtained by combining techniques based on hashing and clustering. By first training a hashing-based "sketch", then clustering it, and then training the clustered quantization, our method achieves compression ratios close to those of post-training quantization with the training time memory reductions of hashing-based methods. We show experimentally that our method provides better compression and/or accuracy that previous methods, and we prove that our method always converges to the optimal embedding table for least-squares training.

The Kalman filter (KF) is a widely-used algorithm for tracking the latent state of a dynamical system from noisy observations. For systems that are well-described by linear Gaussian state space models, the KF minimizes the mean-squared error (MSE). However, in practice, observations are corrupted by outliers, severely impairing the KFs performance. In this work, an outlier-insensitive KF is proposed, where robustness is achieved by modeling each potential outlier as a normally distributed random variable with unknown variance (NUV). The NUVs variances are estimated online, using both expectation-maximization (EM) and alternating maximization (AM). The former was previously proposed for the task of smoothing with outliers and was adapted here to filtering, while both EM and AM obtained the same performance and outperformed the other algorithms, the AM approach is less complex and thus requires 40 percentage less run-time. Our empirical study demonstrates that the MSE of our proposed outlier-insensitive KF outperforms previously proposed algorithms, and that for data clean of outliers, it reverts to the classic KF, i.e., MSE optimality is preserved

People segment complex, ever-changing and continuous experience into basic, stable and discrete spatio-temporal experience units, called events. Event segmentation literature investigates the mechanisms that allow people to extract events. Event segmentation theory points out that people predict ongoing activities and observe prediction error signals to find event boundaries that keep events apart. In this study, we investigated the mechanism giving rise to this ability by a computational model and accompanying psychological experiments. Inspired from event segmentation theory and predictive processing, we introduced a self-supervised model of event segmentation. This model consists of neural networks that predict the sensory signal in the next time-step to represent different events, and a cognitive model that regulates these networks on the basis of their prediction errors. In order to verify the ability of our model in segmenting events, learning them during passive observation, and representing them in its internal representational space, we prepared a video that depicts human behaviors represented by point-light displays. We compared event segmentation behaviors of participants and our model with this video in two hierarchical event segmentation levels. By using point-biserial correlation technique, we demonstrated that event segmentation decisions of our model correlated with the responses of participants. Moreover, by approximating representation space of participants by a similarity-based technique, we showed that our model formed a similar representation space with those of participants. The result suggests that our model that tracks the prediction error signals can produce human-like event boundaries and event representations. Finally, we discussed our contribution to the literature of event cognition and our understanding of how event segmentation is implemented in the brain.

In this paper, we provide a novel strategy for solving Traveling Salesman Problem, which is a famous combinatorial optimization problem studied intensely in the TCS community. In particular, we consider the imitation learning framework, which helps a deterministic algorithm making good choices whenever it needs to, resulting in a speed up while maintaining the exactness of the solution without suffering from the unpredictability and a potential large deviation. Furthermore, we demonstrate a strong generalization ability of a graph neural network trained under the imitation learning framework. Specifically, the model is capable of solving a large instance of TSP faster than the baseline while has only seen small TSP instances when training.

Alzheimer's disease (AD) is a heterogeneous, multifactorial neurodegenerative disorder characterized by beta-amyloid, pathologic tau, and neurodegeneration. The massive heterogeneity between neurobiological examinations and clinical assessment is the current biggest challenge in the early diagnosis of Alzheimer's disease, urging for a comprehensive stratification of the aging population that is defined by reliable neurobiological biomarkers and closely associated with clinical outcomes. However, existing statistical inference approaches in neuroimaging studies of AD subtype identification fail to take into account the neuropathological domain knowledge, which could lead to ill-posed results that are sometimes inconsistent with neurological principles. To fill this knowledge gap, we propose a novel pathology steered stratification network (PSSN) that integrates mainstream AD pathology with multimodal longitudinal neuroimaging data to categorize the aging population. By combining theory-based biological modeling and data-driven deep learning, this cross-disciplinary approach can not only generate long-term biomarker prediction consistent with the end-state of individuals but also stratifies subjects into fine-grained subtypes with distinct neurological underpinnings, where ag-ing brains within the same subtype share com-mon biological behaviors that emerge as similar trajectories of cognitive decline. Our stratification outperforms K-means and SuStaIn in both inter-cluster heterogeneity and intra-cluster homogeneity of various clinical scores. Importantly, we identify six subtypes spanning AD spectrum, where each subtype exhibits a distinctive biomarker pattern that is consistent with its clinical outcome. A disease evolutionary graph is further provided by quantifying subtype transition probabilities, which may assist pre-symptomatic diagnosis and guide therapeutic treatments.

The mixed multinomial logit (MMNL) model assumes constant preference parameters of a decision-maker throughout different choice situations, which may be considered too strong for certain choice modelling applications. This paper proposes an effective approach to model context-dependent intra-respondent heterogeneity and introduces the idea of Context-aware Bayesian Mixed Multinomial Logit (C-MMNL) Model, where a neural network maps contextual information to shifts in the preference parameters of each individual in each choice occasion. The proposed model offers several key advantages. First, it supports for both continuous and discrete variables, as well as complex non-linear interactions between both types of variables. Secondly, each specification of the context is considered jointly as a whole by the neural network rather than each variable being considered independently. Finally, since the parameters of the neural network are shared across all decision-makers, it can leverage information from other decision-makers and use it to infer the effect of a particular context. Even though the C-MMNL model allows for flexible interactions between attributes, there is hardly an increase in the complexity of the model and the computation time, compared to the MMNL model. We present two real-world case studies from travel behaviour domain - a travel mode choice model and a bicycle route choice model. The bicycle route choice model is based on a large-scale, crowdsourced dataset of GPS trajectories including 110,083 trips made by 8,555 cyclists.

Single-cell RNA-sequencing (scRNA-seq) has become a routinely used technique to quantify the gene expression profile of thousands of single cells simultaneously. Analysis of scRNA-seq data plays an important role in the study of cell states and phenotypes, and has helped elucidate biological processes, such as those occurring during development of complex organisms and improved our understanding of disease states, such as cancer, diabetes, and COVID, among others. Deep learning, a recent advance of artificial intelligence that has been used to address many problems involving large datasets, has also emerged as a promising tool for scRNA-seq data analysis, as it has a capacity to extract informative, compact features from noisy, heterogeneous, and high-dimensional scRNA-seq data to improve downstream analysis. The present review aims at surveying recently developed deep learning techniques in scRNA-seq data analysis, identifying key steps within the scRNA-seq data analysis pipeline that have been advanced by deep learning, and explaining the benefits of deep learning over more conventional analysis tools. Finally, we summarize the challenges in current deep learning approaches faced within scRNA-seq data and discuss potential directions for improvements in deep algorithms for scRNA-seq data analysis.

Existing word embedding debiasing methods require social-group-specific word pairs (e.g., "man"-"woman") for each social attribute (e.g., gender), which cannot be used to mitigate bias for other social groups, making these methods impractical or costly to incorporate understudied social groups in debiasing. We propose that the Stereotype Content Model (SCM), a theoretical framework developed in social psychology for understanding the content of stereotypes, which structures stereotype content along two psychological dimensions - "warmth" and "competence" - can help debiasing efforts to become social-group-agnostic by capturing the underlying connection between bias and stereotypes. Using only pairs of terms for warmth (e.g., "genuine"-"fake") and competence (e.g.,"smart"-"stupid"), we perform debiasing with established methods and find that, across gender, race, and age, SCM-based debiasing performs comparably to group-specific debiasing

A match cut is a transition between a pair of shots that uses similar framing, composition, or action to fluidly bring the viewer from one scene to the next. Match cuts are frequently used in film, television, and advertising. However, finding shots that work together is a highly manual and time-consuming process that can take days. We propose a modular and flexible system to efficiently find high-quality match cut candidates starting from millions of shot pairs. We annotate and release a dataset of approximately 20k labeled pairs that we use to evaluate our system, using both classification and metric learning approaches that leverage a variety of image, video, audio, and audio-visual feature extractors. In addition, we release code and embeddings for reproducing our experiments at github.com/netflix/matchcut.

We study the optimization problem associated with fitting two-layer ReLU neural networks with respect to the squared loss, where labels are generated by a target network. Use is made of the rich symmetry structure to develop a novel set of tools for studying the mechanism by which over-parameterization annihilates spurious minima. Sharp analytic estimates are obtained for the loss and the Hessian spectrum at different minima, and it is proved that adding neurons can turn symmetric spurious minima into saddles; minima of lesser symmetry require more neurons. Using Cauchy's interlacing theorem, we prove the existence of descent directions in certain subspaces arising from the symmetry structure of the loss function. This analytic approach uses techniques, new to the field, from algebraic geometry, representation theory and symmetry breaking, and confirms rigorously the effectiveness of over-parameterization in making the associated loss landscape accessible to gradient-based methods. For a fixed number of neurons and inputs, the spectral results remain true under symmetry breaking perturbation of the target.

Electrocardiogram (ECG) signal is one of the most effective sources of information mainly employed for the diagnosis and prediction of cardiovascular diseases (CVDs) connected with the abnormalities in heart rhythm. Clearly, single modality ECG (i.e. time series) cannot convey its complete characteristics, thus, exploiting both time and time-frequency modalities in the form of time-series data and spectrogram is needed. Leveraging the cutting-edge self-supervised learning (SSL) technique on unlabeled data, we propose SSL-based multimodality ECG classification. Our proposed network follows SSL learning paradigm and consists of two modules corresponding to pre-stream task, and down-stream task, respectively. In the SSL-pre-stream task, we utilize self-knowledge distillation (KD) techniques with no labeled data, on various transformations and in both time and frequency domains. In the down-stream task, which is trained on labeled data, we propose a gate fusion mechanism to fuse information from multimodality.To evaluate the effectiveness of our approach, ten-fold cross validation on the 12-lead PhysioNet 2020 dataset has been conducted.

In this paper, we study the problem of bandits with knapsacks (BwK) in a non-stationary environment. The BwK problem generalizes the multi-arm bandit (MAB) problem to model the resource consumption associated with playing each arm. At each time, the decision maker/player chooses to play an arm, and s/he will receive a reward and consume certain amount of resource from each of the multiple resource types. The objective is to maximize the cumulative reward over a finite horizon subject to some knapsack constraints on the resources. Existing works study the BwK problem under either a stochastic or adversarial environment. Our paper considers a non-stationary environment which continuously interpolates between these two extremes. We first show that the traditional notion of variation budget is insufficient to characterize the non-stationarity of the BwK problem for a sublinear regret due to the presence of the constraints, and then we propose a new notion of global non-stationarity measure. We employ both non-stationarity measures to derive upper and lower bounds for the problem. Our results are based on a primal-dual analysis of the underlying linear programs and highlight the interplay between the constraints and the non-stationarity. Finally, we also extend the non-stationarity measure to the problem of online convex optimization with constraints and obtain new regret bounds accordingly.

In this paper we show that our Machine Learning (ML) approach, CoMLSim (Composable Machine Learning Simulator), can simulate PDEs on highly-resolved grids with higher accuracy and generalization to out-of-distribution source terms and geometries than traditional ML baselines. Our unique approach combines key principles of traditional PDE solvers with local-learning and low-dimensional manifold techniques to iteratively simulate PDEs on large computational domains. The proposed approach is validated on more than 5 steady-state PDEs across different PDE conditions on highly-resolved grids and comparisons are made with the commercial solver, Ansys Fluent as well as 4 other state-of-the-art ML methods. The numerical experiments show that our approach outperforms ML baselines in terms of 1) accuracy across quantitative metrics and 2) generalization to out-of-distribution conditions as well as domain sizes. Additionally, we provide results for a large number of ablations experiments conducted to highlight components of our approach that strongly influence the results. We conclude that our local-learning and iterative-inferencing approach reduces the challenge of generalization that most ML models face.

Unrecognized patient deterioration can lead to high morbidity and mortality. Most existing deterioration prediction models require a large number of clinical information, typically collected in hospital settings, such as medical images or comprehensive laboratory tests. This is infeasible for telehealth solutions and highlights a gap in deterioration prediction models that are based on minimal data, which can be recorded at a large scale in any clinic, nursing home, or even at the patient's home. In this study, we propose and develop a prognostic model that predicts if a patient will experience deterioration in the forthcoming 3-24 hours. The model sequentially processes routine triadic vital signs: (a) oxygen saturation, (b) heart rate, and (c) temperature. The model is also provided with basic patient information, including sex, age, vaccination status, vaccination date, and status of obesity, hypertension, or diabetes. We train and evaluate the model using data collected from 37,006 COVID-19 patients at NYU Langone Health in New York, USA. The model achieves an area under the receiver operating characteristic curve (AUROC) of 0.808-0.880 for 3-24 hour deterioration prediction. We also conduct occlusion experiments to evaluate the importance of each input feature, where the results reveal the significance of continuously monitoring the variations of the vital signs. Our results show the prospect of accurate deterioration forecast using a minimum feature set that can be relatively easily obtained using wearable devices and self-reported patient information.

In statistical inference, uncertainty is unknown and all models are wrong. That is to say, a person who makes a statistical model and a prior distribution is simultaneously aware that both are fictional candidates. To study such cases, statistical measures have been constructed, such as cross validation, information criteria, and marginal likelihood, however, their mathematical properties have not yet been completely clarified when statistical models are under- and over- parametrized. We introduce a place of mathematical theory of Bayesian statistics for unknown uncertainty, which clarifies general properties of cross validation, information criteria, and marginal likelihood, even if an unknown data-generating process is unrealizable by a model or even if the posterior distribution cannot be approximated by any normal distribution. Hence it gives a helpful standpoint for a person who cannot believe in any specific model and prior. This paper consists of three parts. The first is a new result, whereas the second and third are well-known previous results with new experiments. We show there exists a more precise estimator of the generalization loss than leave-one-out cross validation, there exists a more accurate approximation of marginal likelihood than BIC, and the optimal hyperparameters for generalization loss and marginal likelihood are different.

Multivariate time-series forecasting is a critical task for many applications, and graph time-series network is widely studied due to its capability to capture the spatial-temporal correlation simultaneously. However, most existing works focus more on learning with the explicit prior graph structure, while ignoring potential information from the implicit graph structure, yielding incomplete structure modeling. Some recent works attempt to learn the intrinsic or implicit graph structure directly while lacking a way to combine explicit prior structure with implicit structure together. In this paper, we propose Regularized Graph Structure Learning (RGSL) model to incorporate both explicit prior structure and implicit structure together, and learn the forecasting deep networks along with the graph structure. RGSL consists of two innovative modules. First, we derive an implicit dense similarity matrix through node embedding, and learn the sparse graph structure using the Regularized Graph Generation (RGG) based on the Gumbel Softmax trick. Second, we propose a Laplacian Matrix Mixed-up Module (LM3) to fuse the explicit graph and implicit graph together. We conduct experiments on three real-word datasets. Results show that the proposed RGSL model outperforms existing graph forecasting algorithms with a notable margin, while learning meaningful graph structure simultaneously. Our code and models are made publicly available at https://github.com/alipay/RGSL.git.

Random Forest (Breiman, 2001) is a successful and widely used regression and classification algorithm. Part of its appeal and reason for its versatility is its (implicit) construction of a kernel-type weighting function on training data, which can also be used for targets other than the original mean estimation. We propose a novel forest construction for multivariate responses based on their joint conditional distribution, independent of the estimation target and the data model. It uses a new splitting criterion based on the MMD distributional metric, which is suitable for detecting heterogeneity in multivariate distributions. The induced weights define an estimate of the full conditional distribution, which in turn can be used for arbitrary and potentially complicated targets of interest. The method is very versatile and convenient to use, as we illustrate on a wide range of examples. The code is available as Python and R packages drf.

(Neal and Hinton, 1998) recast the problem tackled by EM as the minimization of a free energy functional $F$ on an infinite-dimensional space and EM itself as coordinate descent applied to $F$. Here, we explore alternative ways to optimize the functional. In particular, we identify various gradient flows associated with $F$ and show that their limits coincide with $F$'s stationary points. By discretizing the flows, we obtain three practical particle-based algorithms for maximum likelihood estimation in broad classes of latent variable models. The novel algorithms scale well to high-dimensional settings and outperform existing state-of-the-art methods in experiments.

We study the problem of learning an adversarially robust predictor to test time attacks in the semi-supervised PAC model. We address the question of how many labeled and unlabeled examples are required to ensure learning. We show that having enough unlabeled data (the size of a labeled sample that a fully-supervised method would require), the labeled sample complexity can be arbitrarily smaller compared to previous works, and is sharply characterized by a different complexity measure. We prove nearly matching upper and lower bounds on this sample complexity. This shows that there is a significant benefit in semi-supervised robust learning even in the worst-case distribution-free model, and establishes a gap between the supervised and semi-supervised label complexities which is known not to hold in standard non-robust PAC learning.

Machine learning models are vulnerable to biases that result in unfair treatment of individuals from different populations. Recent work that aims to test a model's fairness at the individual level either relies on domain knowledge to choose metrics, or on input transformations that risk generating out-of-domain samples. We describe a new approach for testing individual fairness that does not have either requirement. We propose a novel criterion for evaluating individual fairness and develop a practical testing method based on this criterion which we call fAux (pronounced fox). This is based on comparing the derivatives of the predictions of the model to be tested with those of an auxiliary model, which predicts the protected variable from the observed data. We show that the proposed method effectively identifies discrimination on both synthetic and real-world datasets, and has quantitative and qualitative advantages over contemporary methods.

This paper studies the curious phenomenon for machine learning models with Transformer architectures that their activation maps are sparse. By activation map we refer to the intermediate output of the multi-layer perceptrons (MLPs) after a ReLU activation function, and by "sparse" we mean that on average very few entries (e.g., 3.0% for T5-Base and 6.3% for ViT-B16) are nonzero for each input to MLP. Moreover, larger Transformers with more layers and wider MLP hidden dimensions are sparser as measured by the percentage of nonzero entries. Through extensive experiments we demonstrate that the emergence of sparsity is a prevalent phenomenon that occurs for both natural language processing and vision tasks, on both training and evaluation data, for Transformers of various configurations, at layers of all depth levels, as well as for other architectures including MLP-mixers and 2-layer MLPs. We show that sparsity also emerges using training datasets with random labels, or with random inputs, or with infinite amount of data, demonstrating that sparsity is not a result of a specific family of datasets. We discuss how sparsity immediately implies a way to significantly reduce the FLOP count and improve efficiency for Transformers. Moreover, we demonstrate perhaps surprisingly that enforcing an even sparser activation via Top-k thresholding with a small value of k brings a collection of desired but missing properties for Transformers, namely less sensitivity to noisy training data, more robustness to input corruptions, and better calibration for their prediction confidence.

Several algorithms involving the Variational R\'enyi (VR) bound have been proposed to minimize an alpha-divergence between a target posterior distribution and a variational distribution. Despite promising empirical results, those algorithms resort to biased stochastic gradient descent procedures and thus lack theoretical guarantees. In this paper, we formalize and study the VR-IWAE bound, a generalization of the Importance Weighted Auto-Encoder (IWAE) bound. We show that the VR-IWAE bound enjoys several desirable properties and notably leads to the same stochastic gradient descent procedure as the VR bound in the reparameterized case, but this time by relying on unbiased gradient estimators. We then provide two complementary theoretical analyses of the VR-IWAE bound and thus of the standard IWAE bound. Those analyses shed light on the benefits or lack thereof of these bounds. Lastly, we illustrate our theoretical claims over toy and real-data examples.

Consider the problem setting of Interaction-Grounded Learning (IGL), in which a learner's goal is to optimally interact with the environment with no explicit reward to ground its policies. The agent observes a context vector, takes an action, and receives a feedback vector, using this information to effectively optimize a policy with respect to a latent reward function. Prior analyzed approaches fail when the feedback vector contains the action, which significantly limits IGL's success in many potential scenarios such as Brain-computer interface (BCI) or Human-computer interface (HCI) applications. We address this by creating an algorithm and analysis which allows IGL to work even when the feedback vector contains the action, encoded in any fashion. We provide theoretical guarantees and large-scale experiments based on supervised datasets to demonstrate the effectiveness of the new approach.

It is widely believed that the success of deep networks lies in their ability to learn a meaningful representation of the features of the data. Yet, understanding when and how this feature learning improves performance remains a challenge: for example, it is beneficial for modern architectures trained to classify images, whereas it is detrimental for fully-connected networks trained for the same task on the same data. Here we propose an explanation for this puzzle, by showing that feature learning can perform worse than lazy training (via random feature kernel or the NTK) as the former can lead to a sparser neural representation. Although sparsity is known to be essential for learning anisotropic data, it is detrimental when the target function is constant or smooth along certain directions of input space. We illustrate this phenomenon in two settings: (i) regression of Gaussian random functions on the d-dimensional unit sphere and (ii) classification of benchmark datasets of images. For (i), we compute the scaling of the generalization error with number of training points, and show that methods that do not learn features generalize better, even when the dimension of the input space is large. For (ii), we show empirically that learning features can indeed lead to sparse and thereby less smooth representations of the image predictors. This fact is plausibly responsible for deteriorating the performance, which is known to be correlated with smoothness along diffeomorphisms.

Score-based kernelised Stein discrepancy (KSD) tests have emerged as a powerful tool for the goodness of fit tests, especially in high dimensions; however, the test performance may depend on the choice of kernels in an underlying reproducing kernel Hilbert space (RKHS). Here we assess the effect of RKHS choice for KSD tests of random networks models, developed for exponential random graph models (ERGMs) in Xu and Reinert (2021)and for synthetic graph generators in Xu and Reinert (2022). We investigate the power performance and the computational runtime of the test in different scenarios, including both dense and sparse graph regimes. Experimental results on kernel performance for model assessment tasks are shown and discussed on synthetic and real-world network applications.

Gradient-based deep-learning algorithms exhibit remarkable performance in practice, but it is not well-understood why they are able to generalize despite having more parameters than training examples. It is believed that implicit bias is a key factor in their ability to generalize, and hence it was widely studied in recent years. In this short survey, we explain the notion of implicit bias, review main results and discuss their implications.

To act safely and ethically in the real world, agents must be able to reason about harm and avoid harmful actions. However, to date there is no statistical method for measuring harm and factoring it into algorithmic decisions. In this paper we propose the first formal definition of harm and benefit using causal models. We show that any factual definition of harm must violate basic intuitions in certain scenarios, and show that standard machine learning algorithms that cannot perform counterfactual reasoning are guaranteed to pursue harmful policies following distributional shifts. We use our definition of harm to devise a framework for harm-averse decision making using counterfactual objective functions. We demonstrate this framework on the problem of identifying optimal drug doses using a dose-response model learned from randomized control trial data. We find that the standard method of selecting doses using treatment effects results in unnecessarily harmful doses, while our counterfactual approach allows us to identify doses that are significantly less harmful without sacrificing efficacy.

Estimating the effects of continuous-valued interventions from observational data is a critically important task for climate science, healthcare, and economics. Recent work focuses on designing neural network architectures and regularization functions to allow for scalable estimation of average and individual-level dose-response curves from high-dimensional, large-sample data. Such methodologies assume ignorability (observation of all confounding variables) and positivity (observation of all treatment levels for every covariate value describing a set of units), assumptions problematic in the continuous treatment regime. Scalable sensitivity and uncertainty analyses to understand the ignorance induced in causal estimates when these assumptions are relaxed are less studied. Here, we develop a continuous treatment-effect marginal sensitivity model (CMSM) and derive bounds that agree with the observed data and a researcher-defined level of hidden confounding. We introduce a scalable algorithm and uncertainty-aware deep models to derive and estimate these bounds for high-dimensional, large-sample observational data. We work in concert with climate scientists interested in the climatological impacts of human emissions on cloud properties using satellite observations from the past 15 years. This problem is known to be complicated by many unobserved confounders.

This paper presents novel generalization bounds for the multi-kernel learning problem. Motivated by applications in sensor networks and spatial-temporal models, we assume that the dataset is mixed where each sample is taken from a finite pool of Markov chains. Our bounds for learning kernels admit $O(\sqrt{\log m})$ dependency on the number of base kernels and $O(1/\sqrt{n})$ dependency on the number of training samples. However, some $O(1/\sqrt{n})$ terms are added to compensate for the dependency among samples compared with existing generalization bounds for multi-kernel learning with i.i.d. datasets.

Differential private (DP) mechanisms protect individual-level information by introducing randomness into the statistical analysis procedure. While there are now many DP tools for various statistical problems, there is still a lack of general techniques to understand the sampling distribution of a DP estimator, which is crucial for uncertainty quantification in statistical inference. We analyze a DP bootstrap procedure that releases multiple private bootstrap estimates to infer the sampling distribution and construct confidence intervals. Our privacy analysis includes new results on the privacy cost of a single DP bootstrap estimate applicable to incorporate arbitrary DP mechanisms and identifies some misuses of the bootstrap in the existing literature. We show that the release of $B$ DP bootstrap estimates from mechanisms satisfying $(\mu/\sqrt{(2-2/\mathrm{e})B})$-Gaussian DP asymptotically satisfies $\mu$-Gaussian DP as $B$ goes to infinity. We also develop a statistical procedure based on the DP bootstrap estimates to correctly infer the sampling distribution using techniques related to the deconvolution of probability measures, an approach which is novel in analyzing DP procedures. From our density estimate, we construct confidence intervals and compare them to existing methods through simulations and real-world experiments using the 2016 Canada Census Public Use Microdata. The coverage of our private confidence intervals achieves the nominal confidence level, while other methods fail to meet this guarantee.

We study the linear contextual bandit problem where an agent has to select one candidate from a pool and each candidate belongs to a sensitive group. In this setting, candidates' rewards may not be directly comparable between groups, for example when the agent is an employer hiring candidates from different ethnic groups and some groups have a lower reward due to discriminatory bias and/or social injustice. We propose a notion of fairness that states that the agent's policy is fair when it selects a candidate with highest relative rank, which measures how good the reward is when compared to candidates from the same group. This is a very strong notion of fairness, since the relative rank is not directly observed by the agent and depends on the underlying reward model and on the distribution of rewards. Thus we study the problem of learning a policy which approximates a fair policy under the condition that the contexts are independent between groups and the distribution of rewards of each group is absolutely continuous. In particular, we design a greedy policy which at each round constructs a ridge regression estimate from the observed context-reward pairs, and then computes an estimate of the relative rank of each candidate using the empirical cumulative distribution function. We prove that, despite its simplicity and the lack of an initial exploration phase, the greedy policy achieves, up to log factors and with high probability, a fair pseudo-regret of order $\sqrt{dT}$ after $T$ rounds, where $d$ is the dimension of the context vectors. The policy also satisfies demographic parity at each round when averaged over all possible information available before the selection. Finally, we use simulated settings and experiments on the US census data to show that our policy achieves sub-linear fair pseudo-regret also in practice.

We introduce two practical methods for estimation and inference on a nonparametric structural function $h_0$ and its derivatives -- such as elasticities or other marginal effects -- using instrumental variables. The first is a data-driven choice of sieve dimension. The second is a data-driven approach for constructing uniform confidence bands (UCBs) for $h_0$ and its derivatives. Both procedures are simple to implement, have strong theoretical justification, and do not require prior information about the smoothness of $h_0$ or instrument strength. Our first procedure leads to estimators of $h_0$ and its derivatives that converge at the fastest possible (i.e., minimax) rate in sup-norm. Our second procedure yields UCBs for $h_0$ and its derivatives that have correct asymptotic coverage and contract at, or within a logarithmic factor of, the minimax rate. Our UCBs are asymptotically more efficient (i.e., narrower) than UCBs based on the usual approach of undersmoothing. As an application, we estimate the elasticity of the intensive margin of firm exports in a monopolistic competition model of international trade. Simulations illustrate the good performance of our procedures in empirically calibrated designs. Our results provide evidence against common parameterizations of the distribution of unobserved firm heterogeneity.

Contextual bandits can solve a huge range of real-world problems. However, current popular algorithms to solve them either rely on linear models, or unreliable uncertainty estimation in non-linear models, which are required to deal with the exploration-exploitation trade-off. Inspired by theories of human cognition, we introduce novel techniques that use maximum entropy exploration, relying on neural networks to find optimal policies in settings with both continuous and discrete action spaces. We present two classes of models, one with neural networks as reward estimators, and the other with energy based models, which model the probability of obtaining an optimal reward given an action. We evaluate the performance of these models in static and dynamic contextual bandit simulation environments. We show that both techniques outperform well-known standard algorithms, where energy based models have the best overall performance. This provides practitioners with new techniques that perform well in static and dynamic settings, and are particularly well suited to non-linear scenarios with continuous action spaces.

Generative flow networks (GFlowNets) are a method for learning a stochastic policy for generating compositional objects, such as graphs or strings, from a given unnormalized density by sequences of actions, where many possible action sequences may lead to the same object. We find previously proposed learning objectives for GFlowNets, flow matching and detailed balance, which are analogous to temporal difference learning, to be prone to inefficient credit propagation across long action sequences. We thus propose a new learning objective for GFlowNets, trajectory balance, as a more efficient alternative to previously used objectives. We prove that any global minimizer of the trajectory balance objective can define a policy that samples exactly from the target distribution. In experiments on four distinct domains, we empirically demonstrate the benefits of the trajectory balance objective for GFlowNet convergence, diversity of generated samples, and robustness to long action sequences and large action spaces.

The demand for large-scale computational resources for Neural Architecture Search (NAS) has been lessened by tabular benchmarks for NAS. Evaluating NAS strategies is now possible on extensive search spaces and at a moderate computational cost. But so far, NAS has mainly focused on maximising performance on some hold-out validation/test set. However, energy consumption is a partially conflicting objective that should not be neglected. We hypothesise that constraining NAS to include the energy consumption of training the models could reveal a sub-space of undiscovered architectures that are more computationally efficient with a smaller carbon footprint. To support the hypothesis, an existing tabular benchmark for NAS is augmented with the energy consumption of each architecture. We then perform multi-objective optimisation that includes energy consumption as an additional objective. We demonstrate the usefulness of multi-objective NAS for uncovering the trade-off between performance and energy consumption as well as for finding more energy-efficient architectures. The updated tabular benchmark, EC-NAS-Bench, is open-sourced to encourage the further exploration of energy consumption-aware NAS.

Forecast reconciliation is an important topic of research. Although some recent works studied probabilistic forecast reconciliation, there is currently no method for the probabilistic reconciliation of count time series, which are very common. In this paper we make two main contributions. First we propose a formal definition of coherent and reconciled probabilistic forecast for count variables. Secondly, we propose a principled method for reconciling count time series, based on a generalization of Bayes' rule. We carry out experiments regarding the application of temporal hierarchies to count time series, obtaining major improvements compared to probabilistic reconciliation based on the Gaussian or the truncated Gaussian distribution.

In humans and animals, curriculum learning -- presenting data in a curated order - is critical to rapid learning and effective pedagogy. Yet in machine learning, curricula are not widely used and empirically often yield only moderate benefits. This stark difference in the importance of curriculum raises a fundamental theoretical question: when and why does curriculum learning help? In this work, we analyse a prototypical neural network model of curriculum learning in the high-dimensional limit, employing statistical physics methods. Curricula could in principle change both the learning speed and asymptotic performance of a model. To study the former, we provide an exact description of the online learning setting, confirming the long-standing experimental observation that curricula can modestly speed up learning. To study the latter, we derive performance in a batch learning setting, in which a network trains to convergence in successive phases of learning on dataset slices of varying difficulty. With standard training losses, curriculum does not provide generalisation benefit, in line with empirical observations. However, we show that by connecting different learning phases through simple Gaussian priors, curriculum can yield a large improvement in test performance. Taken together, our reduced analytical descriptions help reconcile apparently conflicting empirical results and trace regimes where curriculum learning yields the largest gains. More broadly, our results suggest that fully exploiting a curriculum may require explicit changes to the loss function at curriculum boundaries.

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or whether a patient has died or not), because the ground-truth probabilities of the events of interest are typically unknown. The problem is therefore analogous to binary classification, with the difference that the objective is to estimate probabilities rather than predicting the specific outcome. This work investigates probability estimation from high-dimensional data using deep neural networks. There exist several methods to improve the probabilities generated by these models but they mostly focus on model (epistemic) uncertainty. For problems with inherent uncertainty, it is challenging to evaluate performance without access to ground-truth probabilities. To address this, we build a synthetic dataset to study and compare different computable metrics. We evaluate existing methods on the synthetic data as well as on three real-world probability estimation tasks, all of which involve inherent uncertainty: precipitation forecasting from radar images, predicting cancer patient survival from histopathology images, and predicting car crashes from dashcam videos. We also give a theoretical analysis of a model for high-dimensional probability estimation which reproduces several of the phenomena evinced in our experiments. Finally, we propose a new method for probability estimation using neural networks, which modifies the training process to promote output probabilities that are consistent with empirical probabilities computed from the data. The method outperforms existing approaches on most metrics on the simulated as well as real-world data.

In this paper, we study the problem of bandits with knapsacks (BwK) in a non-stationary environment. The BwK problem generalizes the multi-arm bandit (MAB) problem to model the resource consumption associated with playing each arm. At each time, the decision maker/player chooses to play an arm, and s/he will receive a reward and consume certain amount of resource from each of the multiple resource types. The objective is to maximize the cumulative reward over a finite horizon subject to some knapsack constraints on the resources. Existing works study the BwK problem under either a stochastic or adversarial environment. Our paper considers a non-stationary environment which continuously interpolates between these two extremes. We first show that the traditional notion of variation budget is insufficient to characterize the non-stationarity of the BwK problem for a sublinear regret due to the presence of the constraints, and then we propose a new notion of global non-stationarity measure. We employ both non-stationarity measures to derive upper and lower bounds for the problem. Our results are based on a primal-dual analysis of the underlying linear programs and highlight the interplay between the constraints and the non-stationarity. Finally, we also extend the non-stationarity measure to the problem of online convex optimization with constraints and obtain new regret bounds accordingly.

We study a constructive algorithm that approximates Gateaux derivatives for statistical functionals by finite-differencing, with a focus on causal inference functionals. We consider the case where probability distributions are not known a priori but also need to be estimated from data. These estimated distributions lead to empirical Gateaux derivatives, and we study the relationships between empirical, numerical, and analytical Gateaux derivatives. Starting with a case study of estimating the mean potential outcome (hence average treatment effect), we instantiate the exact relationship between finite-differences and the analytical Gateaux derivative. We then derive requirements on the rates of numerical approximation in perturbation and smoothing that preserve the statistical benefits of one-step adjustments, such as rate-double-robustness. We then study more complicated functionals such as dynamic treatment regimes and the linear-programming formulation for policy optimization in infinite-horizon Markov decision processes. The newfound ability to approximate bias adjustments in the presence of arbitrary constraints illustrates the usefulness of constructive approaches for Gateaux derivatives. We also find that the statistical structure of the functional (rate-double robustness) can permit less conservative rates of finite-difference approximation. This property, however, can be specific to particular functionals, e.g. it occurs for the mean potential outcome (hence average treatment effect) but not the infinite-horizon MDP policy value.

Generalization bounds which assess the difference between the true risk and the empirical risk, have been studied extensively. However, to obtain bounds, current techniques use strict assumptions such as a uniformly bounded or a Lipschitz loss function. To avoid these assumptions, in this paper, we follow an alternative approach: we relax uniform bounds assumptions by using on-average bounded loss and on-average bounded gradient norm assumptions. Following this relaxation, we propose a new generalization bound that exploits the contractivity of the log-Sobolev inequalities. These inequalities add an additional loss-gradient norm term to the generalization bound, which is intuitively a surrogate of the model complexity. We apply the proposed bound on Bayesian deep nets and empirically analyze the effect of this new loss-gradient norm term on different neural architectures.

Policy evaluation based on A/B testing has attracted considerable interest in digital marketing, but such evaluation in ride-sourcing platforms (e.g., Uber and Didi) is not well studied primarily due to the complex structure of their temporal and/or spatial dependent experiments. Motivated by policy evaluation in ride-sourcing platforms, the aim of this paper is to establish causal relationship between platform's policies and outcomes of interest under a switchback design. We propose a novel potential outcome framework based on a temporal varying coefficient decision process (VCDP) model to capture the dynamic treatment effects in temporal dependent experiments. We further characterize the average treatment effect by decomposing it as the sum of direct effect (DE) and indirect effect (IE). We develop estimation and inference procedures for both DE and IE. Furthermore, we propose a spatio-temporal VCDP to deal with spatiotemporal dependent experiments. For both VCDP models, we establish the statistical properties (e.g., weak convergence and asymptotic power) of our estimation and inference procedures. We conduct extensive simulations to investigate the finite-sample performance of the proposed estimation and inference procedures. We examine how our VCDP models can help improve policy evaluation for various dispatching and dispositioning policies in Didi.

We propose the first regret-based approach to the Graphical Bilinear Bandits problem, where $n$ agents in a graph play a stochastic bilinear bandit game with each of their neighbors. This setting reveals a combinatorial NP-hard problem that prevents the use of any existing regret-based algorithm in the (bi-)linear bandit literature. In this paper, we fill this gap and present the first regret-based algorithm for graphical bilinear bandits using the principle of optimism in the face of uncertainty. Theoretical analysis of this new method yields an upper bound of $\tilde{O}(\sqrt{T})$ on the $\alpha$-regret and evidences the impact of the graph structure on the rate of convergence. Finally, we show through various experiments the validity of our approach.

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems. In our approach, the user defines directly in Python a function $F$ capturing the optimality conditions of the problem to be differentiated. Once this is done, we leverage autodiff of $F$ and the implicit function theorem to automatically differentiate the optimization problem. Our approach thus combines the benefits of implicit differentiation and autodiff. It is efficient as it can be added on top of any state-of-the-art solver and modular as the optimality condition specification is decoupled from the implicit differentiation mechanism. We show that seemingly simple principles allow to recover many existing implicit differentiation methods and create new ones easily. We demonstrate the ease of formulating and solving bi-level optimization problems using our framework. We also showcase an application to the sensitivity analysis of molecular dynamics.

Many generative models synthesize data by transforming a standard Gaussian random variable using a deterministic neural network. Among these models are the Variational Autoencoders and the Generative Adversarial Networks. In this work, we call them "push-forward" models and study their expressivity. We show that the Lipschitz constant of these generative networks has to be large in order to fit multimodal distributions. More precisely, we show that the total variation distance and the Kullback-Leibler divergence between the generated and the data distribution are bounded from below by a constant depending on the mode separation and the Lipschitz constant. Since constraining the Lipschitz constants of neural networks is a common way to stabilize generative models, there is a provable trade-off between the ability of push-forward models to approximate multimodal distributions and the stability of their training. We validate our findings on one-dimensional and image datasets and empirically show that generative models consisting of stacked networks with stochastic input at each step, such as diffusion models do not suffer of such limitations.

We consider streaming principal component analysis when the stochastic data-generating model is subject to perturbations. While existing models assume a fixed covariance, we adopt a robust perspective where the covariance matrix belongs to a temporal uncertainty set. Under this setting, we provide fundamental limits on convergence of any algorithm recovering principal components. We analyze the convergence of the noisy power method and Oja's algorithm, both studied for the stationary data generating model, and argue that the noisy power method is rate-optimal in our setting. Finally, we demonstrate the validity of our analysis through numerical experiments on synthetic and real-world dataset.

In the last decade, recent successes in deep clustering majorly involved the mutual information (MI) as an unsupervised objective for training neural networks with increasing regularisations. While the quality of the regularisations have been largely discussed for improvements, little attention has been dedicated to the relevance of MI as a clustering objective. In this paper, we first highlight how the maximisation of MI does not lead to satisfying clusters. We identified the Kullback-Leibler divergence as the main reason of this behaviour. Hence, we generalise the mutual information by changing its core distance, introducing the generalised mutual information (GEMINI): a set of metrics for unsupervised neural network training. Unlike MI, some GEMINIs do not require regularisations when training. Some of these metrics are geometry-aware thanks to distances or kernels in the data space. Finally, we highlight that GEMINIs can automatically select a relevant number of clusters, a property that has been little studied in deep clustering context where the number of clusters is a priori unknown.

We study the Pareto frontier of two archetypal objectives in multi-armed bandits, namely, regret minimization (RM) and best arm identification (BAI) with a fixed horizon. It is folklore that the balance between exploitation and exploration is crucial for both RM and BAI, but exploration is more critical in achieving the optimal performance for the latter objective. To this end, we design and analyze the BoBW-lil'UCB$(\gamma)$ algorithm. Complementarily, by establishing lower bounds on the regret achievable by any algorithm with a given BAI failure probability, we show that (i) no algorithm can simultaneously perform optimally for both the RM and BAI objectives, and (ii) BoBW-lil'UCB$(\gamma)$ achieves order-wise optimal performance for RM or BAI under different values of $\gamma$. Our work elucidates the trade-off more precisely by showing how the constants in previous works depend on certain hardness parameters. Finally, we show that BoBW-lil'UCB outperforms a close competitor UCB$_\alpha$ (Degenne et al., 2019) in terms of the time complexity and the regret on diverse datasets such as MovieLens and Published Kinase Inhibitor Set.

NLP benchmarks have largely focused on short texts, such as sentences and paragraphs, even though long texts comprise a considerable amount of natural language in the wild. We introduce SCROLLS, a suite of tasks that require reasoning over long texts. We examine existing long-text datasets, and handpick ones where the text is naturally long, while prioritizing tasks that involve synthesizing information across the input. SCROLLS contains summarization, question answering, and natural language inference tasks, covering multiple domains, including literature, science, business, and entertainment. Initial baselines, including Longformer Encoder-Decoder, indicate that there is ample room for improvement on SCROLLS. We make all datasets available in a unified text-to-text format and host a live leaderboard to facilitate research on model architecture and pretraining methods.

This paper studies multi-agent reinforcement learning in Markov games, with the goal of learning Nash equilibria or coarse correlated equilibria (CCE) sample-optimally. All prior results suffer from at least one of the two obstacles: the curse of multiple agents and the barrier of long horizon, regardless of the sampling protocol in use. We take a step towards settling this problem, assuming access to a flexible sampling mechanism: the generative model. Focusing on non-stationary finite-horizon Markov games, we develop a fast learning algorithm called \myalg~and an adaptive sampling scheme that leverage the optimism principle in online adversarial learning (particularly the Follow-the-Regularized-Leader (FTRL) method). Our algorithm learns an $\varepsilon$-approximate CCE in a general-sum Markov game using $$ \widetilde{O}\bigg( \frac{H^4 S \sum_{i=1}^m A_i}{\varepsilon^2} \bigg) $$ samples, where $m$ is the number of players, $S$ indicates the number of states, $H$ is the horizon, and $A_i$ denotes the number of actions for the $i$-th player. This is minimax-optimal (up to log factor) when the number of players is fixed. When applied to two-player zero-sum Markov games, our algorithm provably finds an $\varepsilon$-approximate Nash equilibrium with minimal samples. Along the way, we derive a refined regret bound for FTRL that makes explicit the role of variance-type quantities, which might be of independent interest.

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance or induce discrepancy between the encoding and the decoding steps that necessitates {\em post hoc} validity correction. We circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of node ODEs coupled as a graph PDE, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message-passing temporal networks, and result in superlative performance on the tasks of density estimation and molecular generation. In particular, our generated samples achieve state-of-the-art on both the standard QM9 and ZINC250K benchmarks.

In this study, we present meta-sequential prediction (MSP), an unsupervised framework to learn the symmetry from the time sequence of length at least three. Our method leverages the stationary property (e.g. constant velocity, constant acceleration) of the time sequence to learn the underlying equivariant structure of the dataset by simply training the encoder-decoder model to be able to predict the future observations. We will demonstrate that, with our framework, the hidden disentangled structure of the dataset naturally emerges as a by-product by applying simultaneous block-diagonalization to the transition operators in the latent space, the procedure which is commonly used in representation theory to decompose the feature-space based on the type of response to group actions. We will showcase our method from both empirical and theoretical perspectives. Our result suggests that finding a simple structured relation and learning a model with extrapolation capability are two sides of the same coin. The code is available at https://github.com/takerum/meta_sequential_prediction.

Selective classification is the task of rejecting inputs a model would predict incorrectly on through a trade-off between input space coverage and model accuracy. Current methods for selective classification impose constraints on either the model architecture or the loss function; this inhibits their usage in practice. In contrast to prior work, we show that state-of-the-art selective classification performance can be attained solely from studying the (discretized) training dynamics of a model. We propose a general framework that, for a given test input, monitors metrics capturing the disagreement with the final predicted label over intermediate models obtained during training; we then reject data points exhibiting too much disagreement at late stages in training. In particular, we instantiate a method that tracks when the label predicted during training stops disagreeing with the final predicted label. Our experimental evaluation shows that our method achieves state-of-the-art accuracy/coverage trade-offs on typical selective classification benchmarks.

In this paper, we derive upper bounds on generalization errors for deep neural networks with Markov datasets. These bounds are developed based on Koltchinskii and Panchenko's approach for bounding the generalization error of combined classifiers with i.i.d. datasets. The development of new symmetrization inequalities in high-dimensional probability for Markov chains is a key element in our extension, where the spectral gap of the infinitesimal generator of the Markov chain plays a key parameter in these inequalities. We also propose a simple method to convert these bounds and other similar ones in traditional deep learning and machine learning to Bayesian counterparts for both i.i.d. and Markov datasets. Extensions to $m$-order homogeneous Markov chains such as AR and ARMA models and mixtures of several Markov data services are given.

Improving the generalization of deep networks is an important open challenge, particularly in domains without plentiful data. The mixup algorithm improves generalization by linearly interpolating a pair of examples and their corresponding labels. These interpolated examples augment the original training set. Mixup has shown promising results in various classification tasks, but systematic analysis of mixup in regression remains underexplored. Using mixup directly on regression labels can result in arbitrarily incorrect labels. In this paper, we propose a simple yet powerful algorithm, C-Mixup, to improve generalization on regression tasks. In contrast with vanilla mixup, which picks training examples for mixing with uniform probability, C-Mixup adjusts the sampling probability based on the similarity of the labels. Our theoretical analysis confirms that C-Mixup with label similarity obtains a smaller mean square error in supervised regression and meta-regression than vanilla mixup and using feature similarity. Another benefit of C-Mixup is that it can improve out-of-distribution robustness, where the test distribution is different from the training distribution. By selectively interpolating examples with similar labels, it mitigates the effects of domain-associated information and yields domain-invariant representations. We evaluate C-Mixup on eleven datasets, ranging from tabular to video data. Compared to the best prior approach, C-Mixup achieves 6.56%, 4.76%, 5.82% improvements in in-distribution generalization, task generalization, and out-of-distribution robustness, respectively. Code is released at https://github.com/huaxiuyao/C-Mixup.

In this work we consider a variant of adversarial online learning where in each round one picks $B$ out of $N$ arms and incurs cost equal to the $\textit{minimum}$ of the costs of each arm chosen. We propose an algorithm called Follow the Perturbed Multiple Leaders (FPML) for this problem, which we show (by adapting the techniques of Kalai and Vempala [2005]) achieves expected regret $\mathcal{O}(T^{\frac{1}{B+1}}\ln(N)^{\frac{B}{B+1}})$ over time horizon $T$ relative to the $\textit{single}$ best arm in hindsight. This introduces a trade-off between the budget $B$ and the single-best-arm regret, and we proceed to investigate several applications of this trade-off. First, we observe that algorithms which use standard regret minimizers as subroutines can sometimes be adapted by replacing these subroutines with FPML, and we use this to generalize existing algorithms for Online Submodular Function Maximization [Streeter and Golovin, 2008] in both the full feedback and semi-bandit feedback settings. Next, we empirically evaluate our new algorithms on an online black-box hyperparameter optimization problem. Finally, we show how FPML can lead to new algorithms for Linear Programming which require stronger oracles at the benefit of fewer oracle calls.

The mixed multinomial logit (MMNL) model assumes constant preference parameters of a decision-maker throughout different choice situations, which may be considered too strong for certain choice modelling applications. This paper proposes an effective approach to model context-dependent intra-respondent heterogeneity and introduces the idea of Context-aware Bayesian Mixed Multinomial Logit (C-MMNL) Model, where a neural network maps contextual information to shifts in the preference parameters of each individual in each choice occasion. The proposed model offers several key advantages. First, it supports for both continuous and discrete variables, as well as complex non-linear interactions between both types of variables. Secondly, each specification of the context is considered jointly as a whole by the neural network rather than each variable being considered independently. Finally, since the parameters of the neural network are shared across all decision-makers, it can leverage information from other decision-makers and use it to infer the effect of a particular context. Even though the C-MMNL model allows for flexible interactions between attributes, there is hardly an increase in the complexity of the model and the computation time, compared to the MMNL model. We present two real-world case studies from travel behaviour domain - a travel mode choice model and a bicycle route choice model. The bicycle route choice model is based on a large-scale, crowdsourced dataset of GPS trajectories including 110,083 trips made by 8,555 cyclists.

1. The popularity of Machine learning (ML), Deep learning (DL), and Artificial intelligence (AI) has risen sharply in recent years. Despite this spike in popularity, the inner workings of ML and DL algorithms are often perceived as opaque, and their relationship to classical data analysis tools remains debated. 2. Although it is often assumed that ML and DL excel primarily at making predictions, ML and DL can also be used for analytical tasks traditionally addressed with statistical models. Moreover, most recent discussions and reviews on ML focus mainly on DL, missing out on synthesizing the wealth of ML algorithms with different advantages and general principles. 3. Here, we provide a comprehensive overview of the field of ML and DL, starting by summarizing its historical developments, existing algorithm families, differences to traditional statistical tools, and universal ML principles. We then discuss why and when ML and DL models excel at prediction tasks and where they could offer alternatives to traditional statistical methods for inference, highlighting current and emerging applications for ecological problems. Finally, we summarize emerging trends such as scientific and causal ML, explainable AI, and responsible AI that may significantly impact ecological data analysis in the future. 4. We conclude that ML and DL are powerful new tools for predictive modeling and data analysis. The superior performance of ML and DL algorithms compared to statistical models can be explained by their higher flexibility and automatic data-dependent complexity optimization. However, their use for causal inference is still disputed as the focus of ML and DL methods on predictions creates challenges for the interpretation of these models. Nevertheless, we expect ML and DL to become an indispensable tool in E&E, comparable to other traditional statistical tools.

We establish exact asymptotic expressions for the normalized mutual information and minimum mean-square-error (MMSE) of sparse linear regression in the sub-linear sparsity regime. Our result is achieved by a generalization of the adaptive interpolation method in Bayesian inference for linear regimes to sub-linear ones. A modification of the well-known approximate message passing algorithm to approach the MMSE fundamental limit is also proposed, and its state evolution is rigorously analyzed. Our results show that the traditional linear assumption between the signal dimension and number of observations in the replica and adaptive interpolation methods is not necessary for sparse signals. They also show how to modify the existing well-known AMP algorithms for linear regimes to sub-linear ones.

We consider the dynamic linear regression problem, where the predictor vector may vary with time. This problem can be modeled as a linear dynamical system, with non-constant observation operator, where the parameters that need to be learned are the variance of both the process noise and the observation noise. While variance estimation for dynamic regression is a natural problem, with a variety of applications, existing approaches to this problem either lack guarantees altogether, or only have asymptotic guarantees without explicit rates. In particular, existing literature does not provide any clues to the following fundamental question: In terms of data characteristics, what does the convergence rate depend on? In this paper we study the global system operator -- the operator that maps the noise vectors to the output. We obtain estimates on its spectrum, and as a result derive the first known variance estimators with finite sample complexity guarantees. The proposed bounds depend on the shape of a certain spectrum related to the system operator, and thus provide the first known explicit geometric parameter of the data that can be used to bound estimation errors. In addition, the results hold for arbitrary sub Gaussian distributions of noise terms. We evaluate the approach on synthetic and real-world benchmarks.

We propose methods for density estimation and data synthesis using a novel form of unsupervised random forests. Inspired by generative adversarial networks, we implement a recursive procedure in which trees gradually learn structural properties of the data through alternating rounds of generation and discrimination. The method is provably consistent under minimal assumptions. Unlike existing tree-based alternatives, our approach provides smooth unconditional densities and allows for fully synthetic data generation. We achieve comparable or superior performance to state-of-the-art deep learning models on various tabular data benchmarks while executing about two orders of magnitude faster on average. All algorithms are implemented in easy-to-use $\texttt{R}$ and Python packages.

Spectral algorithms are an important building block in machine learning and graph algorithms. We are interested in studying when such algorithms can be applied directly to provide optimal solutions to inference tasks. Previous works by Abbe, Fan, Wang and Zhong (2020) and by Dhara, Gaudio, Mossel and Sandon (2022) showed the optimality for community detection in the Stochastic Block Model (SBM), as well as in a censored variant of the SBM. Here we show that this optimality is somewhat universal as it carries over to other planted substructures such as the planted dense subgraph problem and submatrix localization problem, as well as to a censored version of the planted dense subgraph problem.

Probabilistic Graphical Models (PGMs) are generative models of complex systems. They rely on conditional independence assumptions between variables to learn sparse representations which can be visualized in a form of a graph. Such models are used for domain exploration and structure discovery in poorly understood domains. This work introduces a novel technique to perform sparse graph recovery by optimizing deep unrolled networks. Assuming that the input data $X\in\mathbb{R}^{M\times D}$ comes from an underlying multivariate Gaussian distribution, we apply a deep model on $X$ that outputs the precision matrix $\hat{\Theta}$, which can also be interpreted as the adjacency matrix. Our model, uGLAD, builds upon and extends the state-of-the-art model GLAD to the unsupervised setting. The key benefits of our model are (1) uGLAD automatically optimizes sparsity-related regularization parameters leading to better performance than existing algorithms. (2) We introduce multi-task learning based `consensus' strategy for robust handling of missing data in an unsupervised setting. We evaluate model results on synthetic Gaussian data, non-Gaussian data generated from Gene Regulatory Networks, and present a case study in anaerobic digestion.

We develop a method that can be used to calculate the likelihood contribution of linear and convolutional layers allowing multi-layer perceptrons and convolutional networks to be converted into normalizing flows. We term this process flowification. In some cases flowification requires the addition of uncorrelated noise to the model but in the simplest case no additional parameters. The technique we develop can be applied to a broad range of architectures, allowing them to be used for a wide range of tasks. Our models also allow existing density estimation techniques to be combined with high performance feature extractors. In contrast to standard density estimation techniques that require specific architectures and specialized knowledge, our approach can leverage design knowledge from different domains and is a step closer to the realization of general purpose architectures. We investigate the efficacy of linear and convolutional layers for the task of density estimation on standard datasets.

Sampling methods, as important inference and learning techniques, are typically designed for unconstrained domains. However, constraints are ubiquitous in machine learning problems, such as those on safety, fairness, robustness, and many other properties that must be satisfied to apply sampling results in real-life applications. Enforcing these constraints often leads to implicitly-defined manifolds, making efficient sampling with constraints very challenging. In this paper, we propose a new variational framework with a designed orthogonal-space gradient flow (O-Gradient) for sampling on a manifold $\mathcal{G}_0$ defined by general equality constraints. O-Gradient decomposes the gradient into two parts: one decreases the distance to $\mathcal{G}_0$ and the other decreases the KL divergence in the orthogonal space. While most existing manifold sampling methods require initialization on $\mathcal{G}_0$, O-Gradient does not require such prior knowledge. We prove that O-Gradient converges to the target constrained distribution with rate $\widetilde{O}(1/\text{the number of iterations})$ under mild conditions. Our proof relies on a new Stein characterization of conditional measure which could be of independent interest. We implement O-Gradient through both Langevin dynamics and Stein variational gradient descent and demonstrate its effectiveness in various experiments, including Bayesian deep neural networks.

Avoiding overfitting is a central challenge in machine learning, yet many large neural networks readily achieve zero training loss. This puzzling contradiction necessitates new approaches to the study of overfitting. Here we quantify overfitting via residual information, defined as the bits in fitted models that encode noise in training data. Information efficient learning algorithms minimize residual information while maximizing the relevant bits, which are predictive of the unknown generative models. We solve this optimization to obtain the information content of optimal algorithms for a linear regression problem and compare it to that of randomized ridge regression. Our results demonstrate the fundamental trade-off between residual and relevant information and characterize the relative information efficiency of randomized regression with respect to optimal algorithms. Finally, using results from random matrix theory, we reveal the information complexity of learning a linear map in high dimensions and unveil information-theoretic analogs of double and multiple descent phenomena.

We consider the bandit optimization problem with the reward function defined over graph-structured data. This problem has important applications in molecule design and drug discovery, where the reward is naturally invariant to graph permutations. The key challenges in this setting are scaling to large domains, and to graphs with many nodes. We resolve these challenges by embedding the permutation invariance into our model. In particular, we show that graph neural networks (GNNs) can be used to estimate the reward function, assuming it resides in the Reproducing Kernel Hilbert Space of a permutation-invariant additive kernel. By establishing a novel connection between such kernels and the graph neural tangent kernel (GNTK), we introduce the first GNN confidence bound and use it to design a phased-elimination algorithm with sublinear regret. Our regret bound depends on the GNTK's maximum information gain, which we also provide a bound for. While the reward function depends on all $N$ node features, our guarantees are independent of the number of graph nodes $N$. Empirically, our approach exhibits competitive performance and scales well on graph-structured domains.

Likelihood-to-evidence ratio estimation is usually cast as either a binary (NRE-A) or a multiclass (NRE-B) classification task. In contrast to the binary classification framework, the current formulation of the multiclass version has an intrinsic and unknown bias term, making otherwise informative diagnostics unreliable. We propose a multiclass framework free from the bias inherent to NRE-B at optimum, leaving us in the position to run diagnostics that practitioners depend on. It also recovers NRE-A in one corner case and NRE-B in the limiting case. For fair comparison, we benchmark the behavior of all algorithms in both familiar and novel training regimes: when jointly drawn data is unlimited, when data is fixed but prior draws are unlimited, and in the commonplace fixed data and parameters setting. Our investigations reveal that the highest performing models are distant from the competitors (NRE-A, NRE-B) in hyperparameter space. We make a recommendation for hyperparameters distinct from the previous models. We suggest a bound on the mutual information as a performance metric for simulation-based inference methods, without the need for posterior samples, and provide experimental results.

We present a new family of information-theoretic generalization bounds, in which the training loss and the population loss are compared through a jointly convex function. This function is upper-bounded in terms of the disintegrated, samplewise, evaluated conditional mutual information (CMI), an information measure that depends on the losses incurred by the selected hypothesis, rather than on the hypothesis itself, as is common in probably approximately correct (PAC)-Bayesian results. We demonstrate the generality of this framework by recovering and extending previously known information-theoretic bounds. Furthermore, using the evaluated CMI, we derive a samplewise, average version of Seeger's PAC-Bayesian bound, where the convex function is the binary KL divergence. In some scenarios, this novel bound results in a tighter characterization of the population loss of deep neural networks than previous bounds. Finally, we derive high-probability versions of some of these average bounds. We demonstrate the unifying nature of the evaluated CMI bounds by using them to recover average and high-probability generalization bounds for multiclass classification with finite Natarajan dimension.

Stochastic gradient descent-ascent (SGDA) is one of the main workhorses for solving finite-sum minimax optimization problems. Most practical implementations of SGDA randomly reshuffle components and sequentially use them (i.e., without-replacement sampling); however, there are few theoretical results on this approach for minimax algorithms, especially outside the easier-to-analyze (strongly-)monotone setups. To narrow this gap, we study the convergence bounds of SGDA with random reshuffling (SGDA-RR) for smooth nonconvex-nonconcave objectives with Polyak-{\L}ojasiewicz (P{\L}) geometry. We analyze both simultaneous and alternating SGDA-RR for nonconvex-P{\L} and primal-P{\L}-P{\L} objectives, and obtain convergence rates faster than with-replacement SGDA. Our rates also extend to mini-batch SGDA-RR, recovering known rates for full-batch gradient descent-ascent (GDA). Lastly, we present a comprehensive lower bound for two-time-scale GDA, which matches the full-batch rate for primal-P{\L}-P{\L} case.

We study the problem of estimating an unknown function from noisy data using shallow ReLU neural networks. The estimators we study minimize the sum of squared data-fitting errors plus a regularization term proportional to the squared Euclidean norm of the network weights. This minimization corresponds to the common approach of training a neural network with weight decay. We quantify the performance (mean-squared error) of these neural network estimators when the data-generating function belongs to the second-order Radon-domain bounded variation space. This space of functions was recently proposed as the natural function space associated with shallow ReLU neural networks. We derive a minimax lower bound for the estimation problem for this function space and show that the neural network estimators are minimax optimal up to logarithmic factors. This minimax rate is immune to the curse of dimensionality. We quantify an explicit gap between neural networks and linear methods (which include kernel methods) by deriving a linear minimax lower bound for the estimation problem, showing that linear methods necessarily suffer the curse of dimensionality in this function space. As a result, this paper sheds light on the phenomenon that neural networks seem to break the curse of dimensionality.

Energy-based models, a.k.a. energy networks, perform inference by optimizing an energy function, typically parametrized by a neural network. This allows one to capture potentially complex relationships between inputs and outputs. To learn the parameters of the energy function, the solution to that optimization problem is typically fed into a loss function. The key challenge for training energy networks lies in computing loss gradients, as this typically requires argmin/argmax differentiation. In this paper, building upon a generalized notion of conjugate function, which replaces the usual bilinear pairing with a general energy function, we propose generalized Fenchel-Young losses, a natural loss construction for learning energy networks. Our losses enjoy many desirable properties and their gradients can be computed efficiently without argmin/argmax differentiation. We also prove the calibration of their excess risk in the case of linear-concave energies. We demonstrate our losses on multilabel classification and imitation learning tasks.

The Kalman filter (KF) is a widely-used algorithm for tracking the latent state of a dynamical system from noisy observations. For systems that are well-described by linear Gaussian state space models, the KF minimizes the mean-squared error (MSE). However, in practice, observations are corrupted by outliers, severely impairing the KFs performance. In this work, an outlier-insensitive KF is proposed, where robustness is achieved by modeling each potential outlier as a normally distributed random variable with unknown variance (NUV). The NUVs variances are estimated online, using both expectation-maximization (EM) and alternating maximization (AM). The former was previously proposed for the task of smoothing with outliers and was adapted here to filtering, while both EM and AM obtained the same performance and outperformed the other algorithms, the AM approach is less complex and thus requires 40 percentage less run-time. Our empirical study demonstrates that the MSE of our proposed outlier-insensitive KF outperforms previously proposed algorithms, and that for data clean of outliers, it reverts to the classic KF, i.e., MSE optimality is preserved  ( 2 min )

We explore the fairness issue that arises in recommender systems. Biased data due to inherent stereotypes of particular groups (e.g., male students' average rating on mathematics is often higher than that on humanities, and vice versa for females) may yield a limited scope of suggested items to a certain group of users. Our main contribution lies in the introduction of a novel fairness notion (that we call equal experience), which can serve to regulate such unfairness in the presence of biased data. The notion captures the degree of the equal experience of item recommendations across distinct groups. We propose an optimization framework that incorporates the fairness notion as a regularization term, as well as introduce computationally-efficient algorithms that solve the optimization. Experiments on synthetic and benchmark real datasets demonstrate that the proposed framework can indeed mitigate such unfairness while exhibiting a minor degradation of recommendation accuracy.  ( 2 min )

We study the finite-time behaviour of the popular temporal difference (TD) learning algorithm when combined with tail-averaging. We derive finite time bounds on the parameter error of the tail-averaged TD iterate under a step-size choice that does not require information about the eigenvalues of the matrix underlying the projected TD fixed point. Our analysis shows that tail-averaged TD converges at the optimal $O\left(1/t\right)$ rate, both in expectation and with high probability. In addition, our bounds exhibit a sharper rate of decay for the initial error (bias), which is an improvement over averaging all iterates. We also propose and analyse a variant of TD that incorporates regularisation. From analysis, we conclude that the regularised version of TD is useful for problems with ill-conditioned features.  ( 2 min )

The Asymptotic Randomised Control (ARC) algorithm provides a rigorous approximation to the optimal strategy for a wide class of Bayesian bandits, while retaining low computational complexity. In particular, the ARC approach provides nearly optimal choices even when the payoffs are correlated or more than the reward is observed. The algorithm is guaranteed to asymptotically optimise the expected discounted payoff, with error depending on the initial uncertainty of the bandit. In this paper, we extend the ARC framework to consider a batched bandit problem where observations arrive from a generalised linear model. In particular, we develop a large sample approximation to allow correlated and generally distributed observation. We apply this to a classic dynamic pricing problem based on a Bayesian hierarchical model and demonstrate that the ARC algorithm outperforms alternative approaches.  ( 2 min )

We prove concentration inequalities for the output of the exponential mechanism about the maximizer of the population objective function. This bound applies to objective functions that satisfy a mild regularity condition. To illustrate our result, we study the problem of differentially private multivariate median estimation. We present novel finite-sample performance guarantees for differentially private multivariate depth-based medians which are essentially sharp. Our results cover commonly used depth functions, such as the halfspace (or Tukey) depth, spatial depth, and the integrated dual depth. We show that under Cauchy marginals, the cost of heavy-tailed location estimation outweighs the cost of privacy. We demonstrate our results numerically using a Gaussian contamination model in dimensions up to $d = 100$, and compare them to a state-of-the-art private mean estimation algorithm.  ( 2 min )

Ordinary Differential Equations (ODEs) have recently gained a lot of attention in machine learning. However, the theoretical aspects, e.g., identifiability and asymptotic properties of statistical estimation are still obscure. This paper derives a sufficient condition for the identifiability of homogeneous linear ODE systems from a sequence of equally-spaced error-free observations sampled from a single trajectory. When observations are disturbed by measurement noise, we prove that under mild conditions, the parameter estimator based on the Nonlinear Least Squares (NLS) method is consistent and asymptotic normal with $n^{-1/2}$ convergence rate. Based on the asymptotic normality property, we construct confidence sets for the unknown system parameters and propose a new method to infer the causal structure of the ODE system, i.e., inferring whether there is a causal link between system variables. Furthermore, we extend the results to degraded observations, including aggregated and time-scaled ones. To the best of our knowledge, our work is the first systematic study of the identifiability and asymptotic properties in learning linear ODE systems. We also construct simulations with various system dimensions to illustrate the established theoretical results.  ( 2 min )

Lesion appearance is a crucial clue for medical providers to distinguish referable diabetic retinopathy (rDR) from non-referable DR. Most existing large-scale DR datasets contain only image-level labels rather than pixel-based annotations. This motivates us to develop algorithms to classify rDR and segment lesions via image-level labels. This paper leverages self-supervised equivariant learning and attention-based multi-instance learning (MIL) to tackle this problem. MIL is an effective strategy to differentiate positive and negative instances, helping us discard background regions (negative instances) while localizing lesion regions (positive ones). However, MIL only provides coarse lesion localization and cannot distinguish lesions located across adjacent patches. Conversely, a self-supervised equivariant attention mechanism (SEAM) generates a segmentation-level class activation map (CAM) that can guide patch extraction of lesions more accurately. Our work aims at integrating both methods to improve rDR classification accuracy. We conduct extensive validation experiments on the Eyepacs dataset, achieving an area under the receiver operating characteristic curve (AU ROC) of 0.958, outperforming current state-of-the-art algorithms.  ( 2 min )

Many water-quality monitoring programs aim to measure turbidity to help guide effective management of waterways and catchments, yet distributing turbidity sensors throughout networks is typically cost prohibitive. To this end, we built and compared the ability of dynamic regression (ARIMA), long short-term memory neural nets (LSTM), and generalized additive models (GAM) to forecast stream turbidity one step ahead, using surrogate data from relatively low-cost in-situ sensors and publicly available databases. We iteratively trialled combinations of four surrogate covariates (rainfall, water level, air temperature and total global solar exposure) selecting a final model for each type that minimised the corrected Akaike Information Criterion. Cross-validation using a rolling time-window indicated that ARIMA, which included the rainfall and water-level covariates only, produced the most accurate predictions, followed closely by GAM, which included all four covariates. We constructed a meta-model, trained on time-series features of turbidity, to take advantage of the strengths of each model over different time points and predict the best model (that with the lowest forecast error one-step prior) for each time step. The meta-model outperformed all other models, indicating that this methodology can yield high accuracy and may be a viable alternative to using measurements sourced directly from turbidity-sensors where costs prohibit their deployment and maintenance, and when predicting turbidity across the short term. Our findings also indicated that temperature and light-associated variables, for example underwater illuminance, may hold promise as cost-effective, high-frequency surrogates of turbidity, especially when combined with other covariates, like rainfall, that are typically measured at coarse levels of spatial resolution.  ( 3 min )

The astounding success of these methods has made it imperative to obtain more explainable and trustworthy estimates from these models. In hydrology, basin characteristics can be noisy or missing, impacting streamflow prediction. For solving inverse problems in such applications, ensuring explainability is pivotal for tackling issues relating to data bias and large search space. We propose a probabilistic inverse model framework that can reconstruct robust hydrology basin characteristics from dynamic input weather driver and streamflow response data. We address two aspects of building more explainable inverse models, uncertainty estimation and robustness. This can help improve the trust of water managers, handling of noisy data and reduce costs. We propose uncertainty based learning method that offers 6\% improvement in $R^2$ for streamflow prediction (forward modeling) from inverse model inferred basin characteristic estimates, 17\% reduction in uncertainty (40\% in presence of noise) and 4\% higher coverage rate for basin characteristics.  ( 2 min )

Trajectory inference aims at recovering the dynamics of a population from snapshots of its temporal marginals. To solve this task, a min-entropy estimator relative to the Wiener measure in path space was introduced by Lavenant et al. arXiv:2102.09204, and shown to consistently recover the dynamics of a large class of drift-diffusion processes from the solution of an infinite dimensional convex optimization problem. In this paper, we introduce a grid-free algorithm to compute this estimator. Our method consists in a family of point clouds (one per snapshot) coupled via Schr\"odinger bridges which evolve with noisy gradient descent. We study the mean-field limit of the dynamics and prove its global convergence to the desired estimator. Overall, this leads to an inference method with end-to-end theoretical guarantees that solves an interpretable model for trajectory inference. We also present how to adapt the method to deal with mass variations, a useful extension when dealing with single cell RNA-sequencing data where cells can branch and die.  ( 2 min )

"On average, across 4 NLP tasks and 10 attention types, single layer wide models perform 0.3% better than their deep counterparts" Discussions of some wide attention results https://twitter.com/andrey_kurenkov/status/1579474438822985728 submitted by /u/SuchOccasion457 [link] [comments]  ( 127 min )

All you have to do is input a YouTube video link and get a video with subtitles (alongside with .txt, .vtt, .srt files). Whisper can translate 98 different languages to English. If you want to give it a try; Link of the app: https://huggingface.co/spaces/BatuhanYilmaz/Auto-Subtitled-Video-Generator ​ https://reddit.com/link/y2cpjc/video/oiac58arcft91/player submitted by /u/Batuhan_Y [link] [comments]  ( 139 min )